Dear all,
Finally I solve this problem after I set the stdev as 0.005. I
thought that stdev means standard deviation, there might be some
other meanings, right? I will check the manual again.
All the best,
Qinghua
-------- Original Message --------
Dear all,
I am trying to construct a model with four HIS binding to a
copper. I set the distance constraints for ND1--CU as 2.0
angstrom, but the distances between ND1 and CU of the constructed
models are around 2.5 angstrom, it seems that the constraints
failed. Acctually, when I checked the model, I found that the
distances could be around 2.0 angstrom if CU was just moved a
little bit.
rsr.add(forms.gaussian(group=physical.xy_distance,
feature=features.distance(at['ND1:13:X'],at['CU:43:Y']),
mean=2.00, stdev=0.05))
rsr.add(forms.gaussian(group=physical.xy_distance,
feature=features.distance(at['ND1:14:X'],at['CU:43:Y']),
mean=2.00, stdev=0.05))
Could someone tell me what kinds of reasons could result in
restraints failure? Thanks very much!
All the best,
Qinghua