sci-chemistry@gentoo.org
Gentoo Chemistry Project
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.