Re: [AMBER-Developers] Chirality routines in tleap; do they do the correct thing with coordination numbers >4

From: David A Case <>
Date: Fri, 18 Nov 2011 08:18:01 -0500

On Fri, Nov 18, 2011, Josh Berryman wrote:
> If anyone asked me then I would say that the correct behaviour should be to
> allow creation of stereoisomers (tleap behaviour), rather than forbidding
> it (xleap behaviour)...but as long as they are consistent then either way
> should be OK.

Can you give any details here, or is everything lost? I wasn't aware of any
differences between tleap and xleap.


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Received on Fri Nov 18 2011 - 05:30:04 PST
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