Package: wnpp Severity: wishlist Owner: Laszlo Kajan <lka...@rostlab.org>
-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 * Package name : concavity Version : 0.1 Upstream Author : Thomas Funkhouser <f...@cs.princeton.edu>, John A. Capra <to...@cs.princeton.edu> * URL : http://compbio.cs.princeton.edu/concavity/ * License : GPL-3+ Programming Lang: C++ Description : predictor of protein ligand binding sites from 3D structure and sequence conservation ConCavity predicts protein ligand binding sites by combining evolutionary sequence conservation and 3D structure. . ConCavity takes as input a PDB format protein structure and (optionally) files that characterize the evolutionary sequence conservation of the chains in the structure file. . The following result files are produced (by default): * residue ligand binding predictions for each chain (*.scores) * residue ligand binding predictions in a PDB format file (residue scores placed in the temp. factor field, *_residue.pdb * pocket prediction locations in a DX format file (*.dx) * PyMOL script to visualize the predictions (*.pml) . ConCavity has many features. The default run of concavity is equivalent to ConCavity^L in the paper: 'Capra JA, Laskowski RA, Thornton JM, Singh M, and Funkhouser TA(2009) Predicting Protein Ligand Binding Sites by Combining Evolutionary Sequence Conservation and 3D Structure. PLoS Comput Biol, 5(12).'. -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) iQIcBAEBAgAGBQJQZX4/AAoJEJvS1kCaDFL6WSwP/0JAWgVwepTLSRFGON9RQmZ7 r6vUpQs3GmZxPYPa+vqY961HPkG4FKXu2hywRN/dojoz+FVL9R1MHmLuU+trJJ8p tbknGUdTOYLvygrBSzAUYY1O3Vqgk9zO6ht0je5WdNSiFJiaUk/z+LezAzwvfdzd zo0wfB9CVqT72tBE3Y0fLjudBDG3HlTyiL5JnSHIvFk9E9alsYU1r04GYOIwmi38 /txTH6QspTPlOmL3Ky1IvM3oQNR+LUL/QHO1vCJ1EmrErNju4A2jWFkoe8bvGZYw tyPEr8ygzNel0+/vD1MDGF3seRJZAz10SKduxEMsT6xC8myHoXbOkKeGKceUc2wm 8rgJUZhBUGuq5jtt2g44al5ArWo82bS+qbAqJ8AYhVjF9rm8wUjGQxtObb53Si2J aW1lEYlWI+VDeUPBfpQNIa9MuwnbBGsgbp8+015g7ci7W1PO3pVx6T13an6Xl83u naw55C0flsE63W78bt0a8qKmCyFLBO485J7CdHKolR/2x8i1SGGeSoOnJRO1o1rO g0vKrcCX7Vv/2/9N88E03dGjQJLCRFb3JBOpzkYZnwyVNfqSdLmVSFSGh+Hloo2M QzmXnVpmGMnWy6aUN2zgTWUmKg39yXvajICTnBBEcsQLKvOCwvTv7ODaU9/dbHF+ kM8AxpsQLVn3kBabB4r+ =5PF/ -----END PGP SIGNATURE----- -- To UNSUBSCRIBE, email to debian-devel-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20120928103900.24805.55055.reportbug@debian-unstable.rostclust
