Autodock: Atomic charges in protein pdbq format

From: Eldbjørg Sofie Heimstad <esh-0at0-nilu.no>
Subject: Autodock: Atomic charges in protein pdbq format
Date: Wed, 09 Aug 2000 09:09:28 +0200

Autodock users,
 As new users in Autodock we are looking for alternatives to the software
 package
 Sybyl to add polar H and Kollman united-atom partial atomic charges
 (columns 71-76  in pdbq format).
 Does any of you use the program 'prepare' (incl. 'protonate', 'q-kollua') to
 do this ?
 Thanks in advance,
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 Eldbjørg S. Heimstad
 NILU Norwegian Institute for Air Research
 The Polar Environmental Centre
 N-9296 Tromsø, Norway
 Tel. +47-77 75 03 75
 Fax. +47-77 75 03 76
 E-mail: Eldbjorg.Sofie.Heimstad-0at0-nilu.no
 Web: http://www.nilu.no
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