Re: [modeller_usage] MODELLER and USER FORMAT restraints

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.

Ben Webb, Modeller Caretaker