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Visualisation

Program name Location Description
 Grasp  http://trantor.bioc.columbia.edu/grasp/  Visualisation package with emphasis on surface and electrostatics
 Mage  http://kinemage.biochem.duke.edu/kinemage/kinemage.php  Generates scientific illustration presented as an interactive computer display
 Molscript  http://www.avatar.se/molscript/  Generates scientific illustration
 MolMol  http://www.mol.biol.ethz.ch/wuthrich/software/molmol/  Molecular visualization package with emphasis on NMR data
O   Molecular visualization package with emphasis on X-ray data
Pymol http://pymol.sourceforge.net/ Open Source molecular modeling software
Rasmol http://www.umass.edu/microbio/rasmol/ Molecular visualization freeware

Protein structure comparison


Program name Server Interface Program download
Method
 CE  http://cl.sdsc.edu  ftp://ftp.sdsc.edu/pub/sdsc/biology/CE/src/ Extension of the optimal path
DALI http://www2.ebi.ac.uk/dali http://jura.ebi.ac.uk:8765/~holm/DaliLite Distance matrix alignment
K2 http://sullivan.bu.edu/kenobi http://sullivan.bu.edu/kenobi genetic algorithm
PRISM
NA Secondary Structure Element alignment
TOP 


Secondary Structure Element alignment
 VAST  http://www.ncbi.nlm.nih.gov/Structure/VAST/vastsearch.html  NA  Vector alignment


Side-chain Rotamer libraries


Library name  Location
Ponder and Richards http://www.fccc.edu/research/labs/dunbrack/sidechain/ponder_richards.rot
Dunbrack and Cohen http://dunbrack.fccc.edu/bbdep
Tuffery et al
DeMaeyer et al http://www.fccc.edu/research/labs/dunbrack/sidechain/demaeyer.rot
Lovell et al http://kinemage.biochem.duke.edu/databases/rotamer.php

 

Homology modelling packages



MODELLER          http://salilab.org/modeller/
3D-Jigsaw             http://www.bmm.icnet.uk/servers/3djigsaw/
SDSC1                 
SCWRL                 http://dunbrack.fccc.edu/SCWRL3.php
SWISS-MODEL    http://www.expasy.ch/swissmod/SWISS-MODEL.html
ESyPred3D           http://www.fundp.ac.be/urbm/bioinfo/esypred