Useful links
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