[Dock-fans] atom types

Scott Brozell sbrozell at scripps.edu
Thu Oct 30 15:02:59 PDT 2008


Hi,

On Wed, 29 Oct 2008, shahin wrote:

> Can anybody tell me what are the atom types that are supported by DOCK 6.2?

For most of DOCK, Sybyl atom types with AMBER parameters; see
http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#vdwdefn
Dock's Amber score follows a different path using ff94 and GAFF; see
http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#AMBERScore

Scott



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