On 06/24/2013 11:09 AM, James Starlight wrote:
The problem was in the charm-like naming of the Histidine residues in the input.pdb ( so its produce mismatch). Does it possible to make some aliases for HIS HSP HSE HSD (to His in sequence entry) as well as other titrable residues ?
You can add aliases for residue types by editing modlib/restyp.lib and adding them to the PDB-3 column. For example, both PRO and PRZ are currently interpreted as "proline".
Ben Webb, Modeller Caretaker -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage