Hi there, Who's the best person to talk to when phenix.elbow is not assigning correct geometry to a molecule? Thanks, Simon --------------------------------------------------------------- Dr Simon Kolstoe Laboratory for Protein Crystallography Wolfson Drug Discovery Unit University College London Rowland Hill Street, London NW3 2PF Tel: 020 7433 2765 http://www.ucl.ac.uk/~rmhasek ---------------------------------------------------------------
Simon
Can you describe the problem and send me the inputs (off-line)?
Nigel
NB. Any files sent to me will be held in strictest confidence.
On Mon, Mar 12, 2012 at 9:43 AM, Simon Kolstoe
Hi there,
Who's the best person to talk to when phenix.elbow is not assigning correct geometry to a molecule?
Thanks,
Simon
--------------------------------------------------------------- Dr Simon Kolstoe Laboratory for Protein Crystallography Wolfson Drug Discovery Unit University College London Rowland Hill Street, London NW3 2PF
Tel: 020 7433 2765 http://www.ucl.ac.uk/~rmhasek ---------------------------------------------------------------
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-- Nigel W. Moriarty Building 64R0246B, Physical Biosciences Division Lawrence Berkeley National Laboratory Berkeley, CA 94720-8235 Phone : 510-486-5709 Email : [email protected] Fax : 510-486-5909 Web : CCI.LBL.gov
Hi Simon,
Often times I do modification of ligand geometries in reel specially if you
have double and triple bond in your ligand.
HTH,
shya
On Mon, Mar 12, 2012 at 12:43 PM, Simon Kolstoe
Hi there,
Who's the best person to talk to when phenix.elbow is not assigning correct geometry to a molecule?
Thanks,
Simon
--------------------------------------------------------------- Dr Simon Kolstoe Laboratory for Protein Crystallography Wolfson Drug Discovery Unit University College London Rowland Hill Street, London NW3 2PF
Tel: 020 7433 2765 http://www.ucl.ac.uk/~rmhasek ---------------------------------------------------------------
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
participants (3)
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Nigel Moriarty
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Shya Biswas
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Simon Kolstoe