Hi again,

Would it be a great amount of extra work that the residue attributes count with one that returns whether a residue has one or more rotamer? That could return whether 0/1 (no multiple rotamer/multiple rotamers) or directly the number of rotamers present in the pdb.

That would eased some of the scripting we do.

Best,

JD

Dr. Jean-Didier Maréchal
Lecturer
Computational Biotechnological Chemistry @ Transmet
Unitat de Química Física
Departament de Química
Universitat Autònoma de Barcelona
Edifici C.n.
08193 Cerdanyola (Barcelona)
Tel: +34.935814936
e-mail: JeanDidier.Marechal@uab.es