jinlian05@lzu.cn wrote:
KeyError: 'No such residue: 37:A' How to repair the script?
See http://salilab.org/modeller/9v1/manual/node22.html or http://salilab.org/archives/modeller_usage/2007/msg00154.html
Like the error message says, your model doesn't have a residue called '37:A'. Note that residue numbers in the model are not generally the same as residue numbers in the template(s), since these are often not consistent. Modeller always numbers residues in the model starting from 1, and only assigns chain IDs when building multi-chain models. If in doubt, first build a model using the regular automodel script at http://salilab.org/modeller/9v1/manual/node16.html and then look at the .ini or .pdb file produced to see the residue numbering.
Ben Webb, Modeller Caretaker -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage