Subject: Autodock: Atomic charges in protein pdbq format

From: Eldbjørg Sofie Heimstad <[email-masked]>
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: [email-masked]
Web: http://www.nilu.no
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