| <?xml version="1.0" encoding="UTF-8"?> |
| <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> |
| <pkgmetadata> |
| <herd>sci-chemistry</herd> |
| <maintainer> |
| <email>jlec@gentoo.org</email> |
| </maintainer> |
| <longdescription> |
| 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. |
| </longdescription> |
| </pkgmetadata> |
