Re: [modeller_usage] Problem with MODELLER6v2

Ludovic Pétain wrote: > Here is my script (for MODELLER6v2):

I strongly recommend you use a newer version of Modeller. 6v2 is very old.

> DELETE_RESTRAINT RESIDUE_IDS='123’ ‘124'

DELETE_RESTRAINT takes ATOM_IDS, not RESIDUE_IDS. For example, you might say

DELETE_RESTRAINT ATOM_IDS = 'O:56' 'C:56' 'N:57' 'CA:57'

to remove any restraint on the given dihedral. See http://salilab.org/modeller/6v2/manual/node105.html and http://salilab.org/modeller/6v2/manual/node104.html

Ben Webb, Modeller Caretaker