Summary
3D Visualization
이 메타패키지는 화학자에게 유용할 수도 있는 3D 뷰어를 설치할 것 입니다.
Description
For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:
If you discover a project which looks like a good candidate for DebiChem
to you, or if you have prepared an unofficial Debian package, please do not hesitate to
send a description of that project to the DebiChem mailing list
Links to other tasks
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DebiChem 3D Visualization packages
Official Debian packages with high relevance
adun.app
Molecular Simulator for GNUstep (GUI)
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Versions of package adun.app |
Release | Version | Architectures |
jessie | 0.81-6 | amd64,armel,armhf,i386 |
stretch | 0.81-9 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
sid | 0.81-14 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 0.81-14 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 0.81-14 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 0.81-14 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 0.81-13 | amd64,arm64,armhf,i386 |
Debtags of package adun.app: |
field | biology, biology:structural |
interface | x11 |
role | program |
scope | application |
suite | gnustep |
uitoolkit | gnustep |
use | analysing, organizing, viewing |
works-with | 3dmodel, db |
x11 | application |
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License: DFSG free
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Adun is a biomolecular simulator that also includes data management and
analysis capabilities. It was developed at the Computational Biophysics
and Biochemistry Laboratory, a part of the Research Unit on Biomedical
Informatics of the UPF.
This package contains UL, the Adun GUI frontend.
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avogadro
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Versions of package avogadro |
Release | Version | Architectures |
jessie | 1.0.3-10.1 | amd64,armel,armhf,i386 |
trixie | 1.99.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 1.97.0-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.93.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.2.0-4 | amd64,arm64,armhf,i386 |
sid | 1.99.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
stretch | 1.2.0-1+deb9u1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
Debtags of package avogadro: |
field | chemistry |
role | program |
uitoolkit | qt |
use | viewing |
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License: DFSG free
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Avogadro는 분자 및 생체분자를 대상으로 하는 분자 그래픽 및 모델링 시스템입
니다. 분자 궤도 및 정전기 전위와 같은 특성을 시각화할 수 있으며 직관적인 분
자 빌더를 특징으로 합니다.
특징은 아래와 같습니다:
- 자동 force-field 기반에 지오메트리 최적화 기능을 갖춘 분자 모델러
- 제약 조건 및 이형태체 검색을 포함하는 분자 역학
- 분자 궤도 및 일반 등밀도면 시각화
- 진동의 시각화 및 진동 스펙트럼 플로팅
- 결정학상의 단위 세포 지원
- Gaussian, GAMESS 및 MOLPRO 양자 화학 패키지를 위한 입력 생성
- 유연한 플러그인 아키텍쳐 및 파이썬 스크립팅
Avogadro가 읽을 수 있는 파일 형식은 PDB, XYZ, CML, CIF, Molden 및 Gaussian,
GAMESS, MOLPRO 출력입니다.
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ballview
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Versions of package ballview |
Release | Version | Architectures |
sid | 1.5.0+git20180813.37fc53c-11 | amd64,arm64,i386,mips64el,ppc64el,riscv64,s390x |
buster | 1.5.0+git20180813.37fc53c-3 | amd64,arm64,i386 |
bullseye | 1.5.0+git20180813.37fc53c-6 | amd64,arm64,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1.5.0+git20180813.37fc53c-11 | amd64,arm64,i386,mips64el,mipsel,ppc64el,s390x |
jessie | 1.4.2+20140406-1 | amd64,armel,armhf,i386 |
stretch | 1.4.3~beta1-3 | amd64,arm64,armel,armhf,i386,mips,ppc64el,s390x |
upstream | 1.5.0+git20220524.d85d2dd |
Debtags of package ballview: |
interface | x11 |
role | program |
uitoolkit | qt |
x11 | application |
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License: DFSG free
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BALLView는 분자 구조, 분자 역학 방법 (최소화, AMBER, CHARMM, 및 MMF94 힘의
장을 사용하는 MD 시뮬레이션), 정전 속성 (FDPB) 및 분자 편집 기능의 계산 및
시각화에 대한 빠른 OpenGL 기반의 시각화를 제공합니다.
BALLView는 특히 단백질 화학자와 생물 물리학자의 가장 일반적인 요구 사항에
초점을 맞춘 BALL (Biochemical Algorithms Library)에 기반한 그래픽 사용자 인
터페이스로 간주될 수 있습니다. Hans-Peter Lenhof (Saarland University,
Saarbruecken, Germany)와 Oliver Kohlbacher (University of Tuebingen,
Germany) 그룹에서 개발되었습니다. BALL은 분자 모델링및 전산 분자 생물학의
신속한 소프트웨어 개발을 위해 특별히 지속적으로 설계된 C++의 어플리케이션
프레임워크입니다. 분자 역학, 향상된 용매 화법, 단백질 구조의 비교 및 분석,
파일 import/export, 시각화를 위한 광범위한 데이타 구조와 클래스를 제공합니다.
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cclib
Parsers and algorithms for computational chemistry
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Versions of package cclib |
Release | Version | Architectures |
sid | 1.8-1 | all |
trixie | 1.8-1 | all |
bookworm | 1.6.2-2 | all |
bullseye | 1.6.2-2 | all |
buster | 1.6-1 | all |
jessie | 1.1-1 | all |
stretch | 1.3.1-1 | all |
upstream | 1.8.1 |
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License: DFSG free
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A Python library that provides parsers for computational
chemistry log files. It also provides a platform to implement
algorithms in a package-independent manner.
This package contains helper scripts for end users.
If you are looking for the unit tests and data files managed by cclib,
they are distributed separately as in non-free package cclib-data.
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drawxtl
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Versions of package drawxtl |
Release | Version | Architectures |
jessie | 5.5-3 | amd64,armel,armhf,i386 |
trixie | 5.5-6.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 5.5-6.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
stretch | 5.5-3 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 5.5-3 | amd64,arm64,armhf,i386 |
bullseye | 5.5-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 5.5-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package drawxtl: |
interface | x11 |
role | program |
uitoolkit | glut |
x11 | application |
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License: DFSG free
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DRAWxtl은 단위 셀 파라미터, 공간 그룹, 원자 좌표, 온도 매개 변수 또는 푸리
에 맵을 포함하는 크리스탈 구조의 기본적인 설명을 읽고, 다면체, 평면, 고립
전자쌍 콘, 구 또는 타원체, 결합, iso-surface 푸리에 윤곽, 및 단위 셀 경계를
포함하는 기하학적 객체를 출력합니다.
네개의 그래픽 형식을 만듭니다:
- 바로 볼 수 있는 OpenGL 윈도우
- 출판물 품질의 그림을 위한 비전 레이 추적기의 지속성 (Persistence of
Vision Ray Tracer/POV-RAY) 장면 언어
- 인터넷을 통해 제공되는 가상 현실 모델링 언어 (Virtual Reality
Modeling Language/VRML)
- 고품질 출력을 원하지만 POV-RAY는 설치되지 않은 사람들을 위한 OpenGL
윈도우의 포스트스크립트 랜더링.
파일 형식 DRAWxtl은 CIF, FDAT, FullProf (pcr), GSAS, SCHAKAL, SHELX,
DISCUS, WIEN2k들을 읽을 수 있습니다.
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gabedit
Ab Initio 패키지에 대한 그래픽 사용자 인터페이스
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Versions of package gabedit |
Release | Version | Architectures |
stretch | 2.4.8-3 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 2.4.8-3 | amd64,arm64,armhf,i386 |
bullseye | 2.5.1~20200828-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
jessie | 2.4.8-1 | amd64,armel,armhf,i386 |
bookworm | 2.5.1+ds-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 2.5.1+ds-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package gabedit: |
field | chemistry |
role | program |
uitoolkit | gtk |
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License: DFSG free
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Gabedit는 아래의 컴퓨터 화학 패키지에 대한 그래픽 사용자 인터페이스입니다:
- MPQC
- GAMESS-US
- Gaussian
- Molcas
- Molpro
- Q-Chem
Ab Initio 소프트웨어 패키지는 내부 또는 외부 서버 (FTP, RSH, SSH를 지원)에서 실행됩니다. Gabedit는 대부분의 주요 분자 파일 형식을 포함하는 다양한 계산 결과를 표시할 수 있습니다. 발전된 "분자 빌더"는 분자에서 빠른 스케치와 3D로 그것들을 실험할 수 있도록 합니다. 그래픽은 애니메이션을 포함한 다양한 형식으로 익스포트될 수 있습니다.
slurm-wlm-torque 및 gridengine-client는 PBS 명령을 위한 래퍼를 제공하는 워크로드 매니저입니다. Gabedit를 사용하면 다른 워크로드 매니저에 대해서도 구성할 수 있습니다.
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gamgi
General Atomistic Modelling Graphic Interface (GAMGI)
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Versions of package gamgi |
Release | Version | Architectures |
jessie | 0.17.1-1 | amd64,armel,armhf,i386 |
sid | 0.17.5-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 0.17.5-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 0.17.3-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 0.17.3-2 | amd64,arm64,armhf,i386 |
stretch | 0.17.1-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
Debtags of package gamgi: |
role | program |
uitoolkit | gtk |
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License: DFSG free
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General Atomistic Modelling Graphic Interface (GAMGI)는 원자 구조를 빌드하
고, 보고, 분석하기 위한 그래픽 인터페이스를 제공합니다. 이 프로그램은 과학
커뮤니티를 목적으로 하며, 원자 구조를 연구하고 프리젠테이션을 위해 이미지를
준비하고 물질의 원자 구조를 가르치는 그래픽 인터페이스를 제공합니다.
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garlic
visualization program for biomolecules
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Versions of package garlic |
Release | Version | Architectures |
trixie | 1.6-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 1.6-1.1 | amd64,armel,armhf,i386 |
stretch | 1.6-1.1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 1.6-3 | amd64,arm64,armhf,i386 |
bullseye | 1.6-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1.6-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 1.6-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package garlic: |
field | biology, chemistry |
interface | x11 |
role | program |
scope | utility |
uitoolkit | xlib |
use | viewing |
x11 | application |
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License: DFSG free
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Garlic is written for the investigation of membrane proteins. It may be
used to visualize other proteins, as well as some geometric objects.
This version of garlic recognizes PDB format version 2.1. Garlic may
also be used to analyze protein sequences.
It only depends on the X libraries, no other libraries are needed.
Features include:
- The slab position and thickness are visible in a small window.
- Atomic bonds as well as atoms are treated as independent drawable
objects.
- The atomic and bond colors depend on position. Five mapping modes
are available (as for slab).
- Capable to display stereo image.
- Capable to display other geometric objects, like membrane.
- Atomic information is available for atom covered by the mouse
pointer. No click required, just move the mouse pointer over the
structure!
- Capable to load more than one structure.
- Capable to draw Ramachandran plot, helical wheel, Venn diagram,
averaged hydrophobicity and hydrophobic moment plot.
- The command prompt is available at the bottom of the main window.
It is able to display one error message and one command string.
Please cite:
Damir Zucic and Davor Juretic:
Precise Annotation of Transmembrane Segments with Garlic - a Free Molecular Visualization Program
(eprint)
Croatica Chemica Acta
77(1-2):397-401
(2004)
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gausssum
Gaussian, GAMESS 및 기타 출력을 파싱하고 출력
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Versions of package gausssum |
Release | Version | Architectures |
stretch | 3.0.1.1-1 | all |
sid | 3.0.2-2 | all |
trixie | 3.0.2-2 | all |
bookworm | 3.0.2-2 | all |
bullseye | 3.0.2-2 | all |
buster | 3.0.2-1 | all |
jessie | 2.2.6.1-1 | all |
Debtags of package gausssum: |
field | chemistry |
role | program |
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License: DFSG free
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GaussSum은 ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar 및 PC HAMESS 계산의 출
력 파일에서 유용한 정보를 추출하기 위해 파싱합니다.
GaussSum은 기하학 최적화, 상태 밀도, UV-VIS 스펙트럼, IR 스펙트럼, 라만 스
펙트럼, 및 선형 밀도 차이등 맵의 진행 상황을 표시하기 위해 GNUPlot을 사용합
니다. 또한 임의 문장을 포함하는 모든 라인을 표시하고 그 이상을 표시합니다.
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gdis
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Versions of package gdis |
Release | Version | Architectures |
sid | 0.90-6 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 0.90-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 0.90-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 0.90-5 | amd64,arm64,armhf,i386 |
stretch | 0.90-5 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 0.90-5 | amd64,armel,armhf,i386 |
Debtags of package gdis: |
field | chemistry |
interface | 3d, x11 |
role | program |
uitoolkit | gtk |
use | editing, learning, viewing |
works-with | 3dmodel |
x11 | application |
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License: DFSG free
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분리된 분자, 주기 시스템 및 결정 습관을 표시하고 조작하기 위한 GTK+ 기반 프로그램. 개발 중이지만 그럼에도 상당한 기능을 가지고 있습니다. 아래와 같은 기능을 포함합니다:
- 여러 파일 형식 지원 (CIF, BIOSYM, XYZ, XTL, MARVIN, GULP)
- 간단한 분자 생성 및 조작 도구
- 분자 역학 시뮬레이션을 위해 시작 구성을 생성하는 대화 상자
- 시각화를 위한 다양한 도구 (기하학적 정보, 영역 강조 표시등)
- BIOSYM 파일 애니메이션 (렌더링된 애니메이션도 있음, 아래 참조)
GDIS를 사용하면 다른 패키지들을 통해 다음 기능을 수행할 수 있습니다:
- 모델 렌더링 (POVRay 제공)
- 에너지 최소화 (GULP 제공)
- 형태 계산 (cdd 제공)
- 공간 그룹 처리 (SgInfo 제공)
- 주기율표 보기 (GPeriodic 제공)
- PDB와 같은, 추가 파일 시스템 로드 (Babel 제공)
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gdpc
visualiser of molecular dynamic simulations
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Versions of package gdpc |
Release | Version | Architectures |
stretch | 2.2.5-6 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 2.2.5-3 | amd64,armel,armhf,i386 |
sid | 2.2.5-16 | amd64,arm64,mips64el,ppc64el,riscv64 |
trixie | 2.2.5-16 | amd64,arm64,mips64el,ppc64el,riscv64 |
bookworm | 2.2.5-15 | amd64,arm64,mips64el,ppc64el |
bullseye | 2.2.5-14 | amd64,arm64,mips64el,ppc64el |
buster | 2.2.5-9 | amd64,arm64,armhf,i386 |
Debtags of package gdpc: |
field | biology, biology:structural, chemistry, physics |
interface | x11 |
role | program |
scope | application |
uitoolkit | gtk |
use | viewing |
works-with | 3dmodel, image, video |
works-with-format | jpg, png |
x11 | application |
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License: DFSG free
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gpdc is a graphical program for visualising output data from
molecular dynamics simulations. It reads input in the standard xyz
format, as well as other custom formats, and can output pictures of
each frame in JPG or PNG format.
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jmol
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Versions of package jmol |
Release | Version | Architectures |
jessie | 12.2.32+dfsg2-1 | all |
stretch | 14.6.4+2016.11.05+dfsg1-3 | all |
buster | 14.6.4+2016.11.05+dfsg1-4 | all |
bullseye | 14.6.4+2016.11.05+dfsg1-4 | all |
bookworm | 14.32.83+dfsg-2 | all |
trixie | 16.2.33+dfsg-1 | all |
sid | 16.2.33+dfsg-1 | all |
upstream | 16.2.37 |
Debtags of package jmol: |
field | chemistry |
role | program |
scope | utility |
use | viewing |
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License: DFSG free
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Jmol은 3차원 화학 구조를 위한 Java 분자 뷰어입니다. 특징으로 다양한 파일 타
입을 읽어 양자 화학 프로그램에서 출력하고, 멀티 프레임 파일 및 양자 프로그
램에서 계산된 일반 모드의 애니메이션을 포함합니다. 화학 물질, 결정체, 자료,
생체 분자에 대한 기능을 포함합니다. Jmol은 화학 및 생화학 분야에 학생, 교육
자 및 연구원에게 유용할 수 있습니다.
Jmol이 읽는 파일 형식으로는 PDB, XYZ, CIF, CML, MDL Molfile, Gaussian,
GAMESS, MOPAC, ABINIT, ACES-II, Dalton 및 VASP가 있습니다.
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kalzium
periodic table and chemistry tools
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Versions of package kalzium |
Release | Version | Architectures |
experimental | 24.08.2-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 4.14.2-1 | amd64,armel,armhf,i386 |
stretch | 16.08.3-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 17.08.3-1 | amd64,arm64,armhf,i386 |
bullseye | 20.12.0-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 22.12.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 23.08.5-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 23.08.5-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
upstream | 24.08.3 |
Debtags of package kalzium: |
field | chemistry |
interface | 3d, x11 |
role | program |
suite | kde |
uitoolkit | qt |
use | browsing, learning, viewing |
works-with | 3dmodel |
x11 | application |
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License: DFSG free
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Kalzium is a full-featured chemistry application, including a
Periodic Table of Elements, chemical reference, chemical equation solver, and
3D molecule viewer.
This package is part of the KDE education module.
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qutemol
interactive visualization of macromolecules
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Versions of package qutemol |
Release | Version | Architectures |
stretch | 0.4.1~cvs20081111-6 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 0.4.1~cvs20081111-12 | amd64,arm64,armhf,i386 |
jessie | 0.4.1~cvs20081111-3.2 | amd64,armel,armhf,i386 |
bullseye | 0.4.1~cvs20081111-13 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 0.4.1~cvs20081111-15 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 0.4.1~cvs20081111-15 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 0.4.1~cvs20081111-15 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package qutemol: |
interface | x11 |
role | program |
uitoolkit | glut, wxwidgets |
x11 | application |
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License: DFSG free
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QuteMol is an interactive, high quality molecular visualization
system. It exploits the current GPU capabilities through OpenGL shaders
to offer an array of innovative visual effects. QuteMol visualization
techniques are aimed at improving clarity and an easier understanding
of the 3D shape and structure of large molecules or complex proteins.
Qutemol uses advanced OpenGL techniques and might not work correctly
with all video cards and drivers.
Features QuteMol offers include:
- Real time ambient occlusion
- Depth aware silhouette enhancement
- Ball-and-stick, space-filling and liquorice visualization modes
- High resolution antialiased snapshots for creating publication
quality renderings
- Automatic generation of animated gifs of rotating molecules for
web page animations
- Interactive rendering of macromolecules (>100k atoms)
QuteMol reads PDB files as input.
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rasmol
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Versions of package rasmol |
Release | Version | Architectures |
bookworm | 2.7.6.0-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 2.7.6.0-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 2.7.6.0-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 2.7.5.2-2 | amd64,armel,armhf,i386 |
stretch | 2.7.5.2-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,s390x |
buster | 2.7.6.0-1 | amd64,arm64,armhf,i386 |
bullseye | 2.7.6.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package rasmol: |
field | chemistry |
interface | x11 |
role | program |
scope | utility |
uitoolkit | gtk |
use | learning, viewing |
x11 | application |
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License: DFSG free
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RasMol은 단백질, 핵산, 작은 분자의 시각화를 위한 분자 그래프 프로그램입니다. 이 프로그램의 목적은 출판물 품질 이미지의 표시, 교육, 생성입니다.
이 프로그램은 분자 좌표 파일을 읽어서 대화식으로 분자를 다양한 색 구성과 분자 표현으로 화면에 표시합니다. 현재 사용 가능한 표현으로는 depth-cued wireframes, 'Dreiding' sticks, spacefilling (CPK) spheres, ball and sticky, Solid and strand biomolecular ribbons, atom labels, dot surfaces를 포함합니다.
지원되는 입력 파일 형식으로는 Protein Data Bank (PDB), Tripos Associates' Alchemy and Sybyl Mol2 formats, Molecular Design Limited's (MDL) Mol file format, Minnesota Supercomputer Center's (MSC) XYZ (XMol) format, CHARMm format, CIF format and mmCIF format을 포함합니다.
이 패키지는 두개의 RasMol 버젼을 설치합니다. rasmol-gtk는 현대적 GTK 기반의 사용자 인터페이스를 가지고 있으며 rasmol-classic은 오래된 Xlib GUI 버젼입니다.
The package is enhanced by the following packages:
rasmol-doc
Please register by following this link if you are using rasmol.
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raster3d
tools for generating images of proteins or other molecules
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Versions of package raster3d |
Release | Version | Architectures |
trixie | 3.0-7-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 3.0-7-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 3.0-3-1 | amd64,armel,armhf,i386 |
stretch | 3.0-3-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 3.0-3-5 | amd64,arm64,armhf,i386 |
bullseye | 3.0-7-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 3.0-7-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package raster3d: |
field | biology, biology:structural |
interface | commandline |
role | program |
scope | application |
use | converting, viewing |
works-with | 3dmodel, image, image:raster |
works-with-format | jpg, png |
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License: DFSG free
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Raster3D is a set of tools for generating high quality raster images of
proteins or other molecules. The core program renders spheres, triangles,
cylinders, and quadric surfaces with specular highlighting, Phong shading,
and shadowing. It uses an efficient software Z-buffer algorithm which is
independent of any graphics hardware. Ancillary programs process atomic
coordinates from PDB files into rendering descriptions for pictures composed
of ribbons, space-filling atoms, bonds, ball+stick, etc. Raster3D can also be
used to render pictures composed in other programs such as Molscript in
glorious 3D with highlights, shadowing, etc. Output is to pixel image files
with 24 bits of color information per pixel.
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shelxle
graphical user interface for SHELXL
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Versions of package shelxle |
Release | Version | Architectures |
jessie | 1.0.677-1 | amd64,armel,armhf,i386 |
sid | 1.0.1552-1 | amd64,arm64,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 1.0.1552-1 | amd64,arm64,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 1.0.1472-1 | amd64,arm64,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.0.1179-1 | amd64,arm64,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.0.952-1 | amd64,arm64,i386 |
stretch | 1.0.816-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
upstream | 1.0.1697 |
Debtags of package shelxle: |
uitoolkit | qt |
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License: DFSG free
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ShelXle combines an editor with syntax highlighting for the
SHELXL-associated .ins (input) and .res (output) files with an interactive
graphical display for visualization of a three-dimensional structure including
the electron density (Fo) and difference density (Fo-Fc) maps.
https://dx.doi.org/10.1107/S0021889811043202
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v-sim
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Versions of package v-sim |
Release | Version | Architectures |
stretch | 3.7.2-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bookworm | 3.7.2-9 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 3.7.2-9 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 3.7.2-8 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package v-sim: |
field | chemistry, physics |
interface | x11 |
role | program |
science | visualisation |
scope | application |
uitoolkit | gtk |
use | viewing |
x11 | application |
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License: DFSG free
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V_Sim은 결정, 입자 경계, 분자등과 같은 원자 구조를 시각화합니다 (이진 형식 또는 일반 텍스트 형식).
렌더링은 구 (원자) 또는 화살표 (회전)를 사용하여 의사 3D로 수행됩니다. 사용자는 보기 선택, 바인딩 설정, 절단면 그리기, 스칼라 필드에서 표면 계산, 노드 복제, 형상 측정과 같은 여러 기능을 통해 상호작용 할 수 있습니다. 또한 V_Sim은 뷰를 PNG, JPG, PDF (bitmap), SVG (스키마) 및 기타형식의 이미지로 내보낼 수 있습니다. 몇몇 도구들은 데이타 값에서 원자를 색상화 하거나 또는 화면상에 많은 위치 파일을 애니메이션화하는데 사용할 수 도 있습니다.
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viewmol
graphical front end for computational chemistry programs
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Versions of package viewmol |
Release | Version | Architectures |
jessie | 2.4.1-22 | amd64,armel,armhf,i386 |
stretch | 2.4.1-24 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 2.4.1-25 | amd64,arm64,armhf,i386 |
Debtags of package viewmol: |
field | chemistry |
interface | 3d, x11 |
role | program |
uitoolkit | motif |
use | learning, viewing |
x11 | application |
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License: DFSG free
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Viewmol is able to graphically aid in the generation of molecular
structures for computations and to visualize their results.
At present Viewmol includes input filters for Discover, DMol3, Gamess,
Gaussian 9x/03, Gulp, Mopac, PQS, Turbomole, and Vamp outputs as well as
for PDB files. Structures can be saved as Accelrys' car-files, MDL files,
and Turbomole coordinate files. Viewmol can generate input files for
Gaussian 9x/03. Viewmol's file format has been added to OpenBabel so that
OpenBabel can serve as an input as well as an output filter for
coordinates.
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xbs
3-d models and movies of molecules
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Versions of package xbs |
Release | Version | Architectures |
sid | 0-12 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 0-11 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 0-10 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 0-10 | amd64,arm64,armhf,i386 |
bullseye | 0-10 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
jessie | 0-8 | amd64,armel,armhf,i386 |
trixie | 0-12 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package xbs: |
field | chemistry |
interface | 3d |
role | program |
scope | application |
uitoolkit | xlib |
use | printing, viewing |
works-with | text |
works-with-format | postscript |
x11 | application |
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License: DFSG free
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xbs ball-and-sticks plotting program can create still
and moving three dimensional models of molecules. X11 and
PostScript output are available. Models can be rotated,
scaled, etc. Various labeling, shading, lighting,
coloring options are available.
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xcrysden
Crystalline and Molecular Structure Visualizer
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Versions of package xcrysden |
Release | Version | Architectures |
bullseye | 1.6.2-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
jessie | 1.5.60-1 | amd64,armel,armhf,i386 |
sid | 1.6.2-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 1.6.2-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 1.6.2-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 1.5.60-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
upstream | 1.6.3~rc2 |
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License: DFSG free
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XCrySDen is a crystalline and molecular structure visualisation
program, which aims at display of isosurfaces and contours, which can
be superimposed on crystalline structures and interactively rotated
and manipulated. It can run on most UNIX platforms, without any
special hardware requirements.
XCrySDen allows for real-time capture of display. Several movie encoders
are supported, in particular for Animated-GIF convert (imagemagick),
gifsicle, or whirlgif are necessary. For AVI/MPEG mencoder or
ppmtompeg (netpbm) is required. For window dumps either imagemagick or
xwd (x11-apps) needs to be present.
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xmakemol
program for visualizing atomic and molecular systems
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Versions of package xmakemol |
Release | Version | Architectures |
stretch | 5.16-9 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 5.16-7 | amd64,armel,armhf,i386 |
sid | 5.16-10 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 5.16-10 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 5.16-10 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 5.16-9 | amd64,arm64,armhf,i386 |
Debtags of package xmakemol: |
field | chemistry |
hardware | input, input:mouse |
interface | x11 |
role | program |
scope | application |
uitoolkit | motif |
use | editing, viewing |
x11 | application |
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License: DFSG free
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XMakemol is a mouse-based program, written using the LessTif widget set, for
viewing and manipulating atomic and other chemical systems. It reads XYZ
input and renders atoms, bonds and hydrogen bonds.
Features include:
- Animating multiple frame files
- Interactive measurement of bond lengths, bond angles and torsion angles
- Control over atom/bond sizes
- Exporting to Xpm, Encapsulated PostScript and XYZ formats
- Toggling the visibility of groups of atoms
- Editing the positions of subsets of atoms
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