From: David A Case <>
Date: Wed, 9 Jan 2019 08:45:28 -0500

On Tue, Jan 08, 2019, Sundar wrote:

>I am trying to add distance restraints between an amino acid and ligand.
>I used "makeDIST_RST" to create RST file from the 7-column file that I

>The generated RST file only has igr1 but NOT igr2 which should be the atom
>index of the ligand atom.

Can you provide an example of the problem? I'm somewhat surprised that
the script did not produce an error (rather than giving an output
missing some parameters.) Generally, if you have a ligand and want to
use this script, you would need to add an entry for the ligand in the
map.DG-AMBER file.

> It is also producing error if I include CYX (CYS in disulphide bond) atoms.

It would be very helpful if you could indicate what the error is. The
code looks like the script should recgnize CYX, and without knowing what
sort of error you are seeing, it's hard to be of much help.

...thanks for the report...dac

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Received on Wed Jan 09 2019 - 06:00:05 PST
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