RE: Sybyl trajectory

From: Edelmiro Moman (emoman_at_rcsi.ie)
Date: Tue Sep 06 2005 - 10:33:37 CDT

Actually, you can do that straightforwardly in Sybyl (we do that all the
time): I mean converting the trajectory .HIS file to a collection of mol2
files.

-----Original Message-----
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of Grzegorz Jezierski
Sent: 06 September 2005 14:32
To: namd
Subject: Re: namd-l: Sybyl trajectory

If you have access to Insight, it reads HIS files. Using this, you might
be able to convert into some more interchangeable format.
And VMD reads SYBYL's mol2 format - so maybe you can produce '.mol2'
instead of .HIS files.
Grzegorz

Josef Scheiber wrote:

> Hi all,
>
> does anybody have an idea how to convert SYBYL trajectory (*.his)
> files to DCD-format? Is that possible at all? I found a tool called
> "sybyl2amber" which is part of gOpenMol, but unfortunately it doesn't
> work for my files (maybe a version conflict). If you have a hint,
> please let me know!
>
> Thanks in advance,
> Sepp
>

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