[AMBER] using sleap to load mol2 files

From: case <case.biomaps.rutgers.edu>
Date: Mon, 4 Jul 2011 09:15:03 -0400

Guenegou, Guillaume wrote:


> As you may know, somes features can be added to a mol2 file created with
> sybyl. There are some classical features such as those beginning with
> .<TRIPOS>MOLECULE or .<TRIPOS>ATOM. And there are some optional features
> (.<TRIPOS>SET or .<TRIPOS>NORMAL).

> These optional blocks are not a problem for tleap, but with sleap I got
> the following message: Unknow sybyl keyword <TRIPOS>NORMAL Or Unknow
> sybyl keyword <TRIPOS>SET

> Then sleap stops.

Please see the attached bugfix, let us know if you see problems.

...thanks for the report...dac



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Received on Mon Jul 04 2011 - 06:30:04 PDT
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