[Dock-fans] MOL2 format query

Gareth Williams gareth.2.williams at kcl.ac.uk
Wed Mar 16 02:33:30 PST 2005


I'm trying to run DOCK without SYBYL. To do this I need an alternative MOL2 
file generator. Is there any available (free)? I have my own code for 
converting pdb files to MOL files, but don't know how to assign the partial 
charges.

Can you help?




Gareth Williams
Wolfson CARD
The Wolfson Wing
Hodgkin Building
Kings College London
London SE1 1UL
Tel:  020 7848 6806
Fax: 020 7848 6816
http://www.kcl.ac.uk/depsta/biomedical/CARD/CARD.htm





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