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 -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage