Hi, 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?
Thanks for hints
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
participants (2)
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Armin Meier -
Modeller Caretaker