On 12/14/2009 03:58 AM, Armin Meier wrote:
we want to use Modeller for modeling a target with multiple templates. The distance restraints shall be replaced by our own ones. So far, we're replacing all lines in the restraints file of types 3 (gaussian) and 10 (spline) in combination with groups 9 (CACA), 10 (NO), 23 (SDCH-MNCH), 26 (SDCH-SDCH). Is there any source of information about the Modeller handling of distance restraints for multiple templates, i.e. which distance restraints are there and what is their mathematical form?
Yes - this is all detailed in the 1993 JMB Modeller paper. Ben Webb, Modeller Caretaker -- http://www.salilab.org/modeller/ Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage