Reply To: a trouble during floppytail modeling

[Anonymous]

Thank you. I think I have already read all these files. Maybe my last question was quite vague.

My question was about binding site constraint, that was not pre-equipped now, as mentioned in the constraint file instruction.(The applicable function was to atom, angle and dihedral) The atom constraint was not equal to binding site constraint, I think, because we could not define certain residue on designated chain. For example, sometimes different chain may have identical residue number, so that besides residue number, chain id was also required to specify in the constraint file. So I wonder how I could make an applicable binding site constraint file. I have checked the constraintfactory.cc, and binding site function was really unactivated.

Thanks a lot.