[phenixbb] Fwd: Sorry: Fatal problems interpreting model file
alejandro.virrueta at yale.edu
Wed Feb 17 11:50:30 PST 2016
How can I successfully execute the following command:
phenix.refine pdb_1jbe_res_ALA_resID_101_del.pdb 1jbe.mtz
Currently, I am getting the following error:
Sorry: Fatal problems interpreting model file:
Number of atoms with unknown nonbonded energy type symbols: 8
Please edit the model file to resolve the problems and/or supply a
CIF file with matching restraint definitions, along with
apply_cif_modification and apply_cif_link parameter definitions
I'm not a crystallographer, so I don't fully understand the error.
I'm simply trying to automate this procedure for many PDBs, and this
particular error has come up quite a few times.
Can I resolve this issue by providing additional files or command line
Other files I have available are 1jbe.cif and 1jbe-sf.cif.
File 'pdb_1jbe_res_ALA_resID_101_del.pdb' is similar to 1jbe.pdb, except
that the occupancies for ALA 101 are set to 0.
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