sci-chemistry / clashlist

Build lists of van der Waals clashes from an input PDB file

Official package sites : http://kinemage.biochem.duke.edu/software/index.php ·

Clashlist is a simple UNIX script which uses the awk facility along with the programs Probe and Cluster to build lists of van der Waals clashes from an input PDB-format molecular data file (with H atoms). These lists are organized such that collections of interacting residues are grouped together, sorted by the worst clash. For the purposes of this analysis, a clash is defined as a van der Waals overlap >= 0.4 A.

v3.17-r1 :: 0 :: gentoo

Modified
License
richardson
Keywords
amd64 x86 ~amd64-linux ~x86-linux

sci-chemistry / cluster : Build lists of collections of interacting items

sci-chemistry / probe : Evaluates atomic packing within or between molecules

sci-chemistry / cluster : Build lists of collections of interacting items

sci-chemistry / probe : Evaluates atomic packing within or between molecules

sci-chemistry / aria : Automated NOE assignment and NMR structure calculation

Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
Justin Lecher · gentoo
sci-chemistry/clashlist: Drop old
Package-Manager: portage-2.2.21 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Agostino Sarubbo · gentoo
sci-chemistry/clashlist: amd64 stable wrt bug #547384
Package-Manager: portage-2.2.20.1 RepoMan-Options: --include-arches="amd64"
Robin H. Johnson · gentoo
proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed