From: EOIN GALLIGAN <paxeg_at_pan1.pharm.nottingham.ac.uk>
Date: Fri 9 Jun 2000 16:51:07 GMT0BST

Dear all,

        After defining atom types and partial
charges, I am trying to add hydrogens to a
ligand. On using the "add H and build", i only get
some hydrogens. Also, the bond orders are
incorrect, with double bonds not appearing. Can
anyone advise me?

Regards, E.Galligan
tel: 0115 9515151 x66272
mob: 07968 349629
mob email:eoingalligan_at_sms.genie.co.uk

Laboratory of Biophysics and Surface Analysis,
Institute of Pharmaceutical Sciences,
University of Nottingham,
Received on Fri Jun 09 2000 - 09:51:07 PDT
Custom Search