Re: [modeller_usage] MODELLER and USER FORMAT restraints
To: Yingang Feng <>
Subject: Re: [modeller_usage] MODELLER and USER FORMAT restraints
From: Modeller Caretaker <>
Date: Sat, 29 Mar 2008 17:53:15 -0700
Yingang Feng wrote:
In modeller9v3, the USER FORMAT of rsr file is not supported. However,
it seems MODELLER FORMAT rsr file do not support the atom selection
with name like 'CA:10' but have to use the number indice of atom. This
makes the NMR restraint conversion difficult. How to deal with large
number restraints easily?
Write your restraints as a simple Python script - see
http://salilab.org/modeller/9v3/manual/node27.html for an example of the
syntax. This is much more readable than a Modeller restraints file, and
also supports user-defined restraint types. It isn't recommended to
write restraints files directly.