Biskit

For other uses, see Biscuit (disambiguation).

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Biskit science

Developer(s)| Raik Grünberg, Johan Leckner, and others
Stable release|

3.0.1[1] / 18 March 2025; 2 months ago (18 March 2025)

Repository|

* github.com/graik/biskit

Written in| Python
Operating system| UNIX, Linux, Mac OS X
Type| Bioinformatics tool
License| GPL
Website| biskit.pasteur.fr

Biskit is an open source software package that facilitates research in structural bioinformatics and molecular modelling. Written in Python, it consists of:

* An object-oriented programming library for manipulating and analyzing macromolecular structures, protein complexes and molecular dynamics trajectories
* A set of programs for solving specific tasks, such as automatic prediction of protein structures by homology modeling, and possible prediction of protein complex structures through flexible protein-protein docking

The library delegates many calculations to more specialized third-party software. It currently utilizes 15 external applications, including X-PLOR, Hex, T-Coffee, DSSP and MODELLER.

The latest Biskit version, 2.4.0, was released on 4 Mar 2012. It was originally developed at the Pasteur Institute. The name "Biskit" refers to the research group's name, Unité de BioInformatique Structurale.

## External links

[edit]

* Official website

* v
* t
* e

Computational chemistry software

Cheminformatics|

| Free software|

* Bioclipse
* Blue Obelisk
* Chemistry Development Kit
* ECCE
* JOELib
* OELib
* Open Babel
* RDKit

|

Proprietary|

* AlvaDesc
* Canvas
* Chemicalize
* Discovery Studio
* OEChem TK

Chemical kinetics|

| Free software|

* APBS
* Cantera
* KPP

|

Proprietary|

* Autochem
* Chemical WorkBench
* CHEMKIN
* COSILAB
* DelPhi
* Khimera

Molecular modelling
and
visualization|

List of molecular graphics systems

| Free software|

* Ascalaph Designer
* Avogadro
* BALL
* Biskit
* Gabedit
* Ghemical
* Jmol
* Molekel
* PyMOL
* QuteMol
* RasMol

|

Proprietary|

* Abalone
* ACD/ChemSketch
* Atomistix ToolKit
* ChemDraw
* ChemWindow
* EzMol
* Gaussian
* Maestro
* MarvinSketch
* MarvinView
* MODELLER
* Molecular Operating Environment
* SAMSON
* Spartan
* UCSF Chimera
* VIDA
* VMD

Molecular docking|

List of protein-ligand docking software

| Free software|

* AutoDock
* AutoDock Vina
* FlexAID
* rDock

|

Proprietary|

* Glide
* LeDock
* Molecular Operating Environment
* OEDocking

Molecular dynamics|

| Free software|

* CP2K
* GROMACS
* LAMMPS
* OpenMM
* PLUMED

|

Proprietary|

* Abalone
* AMBER
* CHARMM
* CPMD
* Desmond
* GROMOS
* NAMD

Quantum chemistry|

List of quantum chemistry and solid-state physics software

| Free software|

* ABINIT
* ACES (CFOUR)
* AIMAll
* BigDFT
* COLUMBUS
* CONQUEST
* CP2K
* Dalton
* DIRAC
* DP code
* FLEUR
* FreeON
* MADNESS
* MOPAC
* MPQC
* NWChem
* Octopus
* OpenMolcas
* PARSEC
* PSI
* PyQuante
* PySCF
* Quantum ESPRESSO (PWscf)
* RMG
* SIESTA
* VB2000
* YAMBO code

|

Proprietary|

* ADF
* AMPAC
* DMol3
* CADPAC
* CASINO
* CASTEP
* CPMD
* CRUNCH
* CRYSTAL
* Firefly
* GAMESS (UK)
* GAMESS (US)
* Gaussian
* Jaguar
* MOLCAS
* MOLPRO
* ONETEP
* OpenAtom
* ORCA
* PLATO
* PQS
* Q-Chem
* Quantemol
* Scigress
* Spartan
* TeraChem
* TURBOMOLE
* VASP
* WIEN2k
* XMVB

Skeletal structure drawing|

| Free software|

* JChemPaint
* Molsketch
* XDrawChem

|

Proprietary|

* ACD/ChemSketch
* BIOVIA Draw
* ChemDoodle
* ChemDraw
* ChemWindow
* JME Molecule Editor
* MarvinSketch
* PICTO

Others|

* Aqion
* EXC code
* GenX
* GSim
* Mercury
* CrystalExplorer
* ICM (ICM-Browser)
* Materials Studio
* Molden
* OpenChrom
* SASHIMI

This molecular modelling–related article is a stub. You can help Wikipedia by expanding it.

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* v
* t
* e

1. ^ "Release 3.0.1". 18 March 2025. Retrieved 23 March 2025.

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