blob: d65bfdd901ab9488b788095cc3d7abf6d2e0ecab (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
|
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "https://hedronfire.com/dtd/metadata.dtd">
<pkgmetadata>
<maintainer type="project">
<email>sci-chemistry@gentoo.org</email>
<name>Gentoo Chemistry Project</name>
</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>
<origin>hedronfire</origin>
</pkgmetadata>
|
