URL: <http://gna.org/bugs/?24300>
Summary: Failure of the structure.read_pdb user function with merge=True and multiple structures and multiple models. Project: relax Submitted by: bugman Submitted on: Mon 11 Jan 2016 08:36:23 AM UTC Category: relax's source code Specific analysis category: All analyses Priority: 3 - Low Severity: 2 - Minor Status: In Progress Assigned to: bugman Originator Name: Originator Email: Open/Closed: Open Release: 4.0.1 Discussion Lock: Any Operating System: All systems _______________________________________________________ Details: The error is: relax> structure.read_pdb(file='C-dom.pdb', dir=None, read_mol=None, set_mol_name=['CaM A', 'CaM B', 'CaM C'], read_model=None, set_model_num=None, alt_loc=None, verbosity=1, merge=True) Internal relax PDB parser. Opening the file 'C-dom.pdb' for reading. Merging with molecule 'CaM A' of model 1 (from the original molecule number 1 of model 1). Merging with molecule 'CaM B' of model 1 (from the original molecule number 2 of model 1). Merging with molecule 'CaM C' of model 1 (from the original molecule number 3 of model 1). Merging with molecule 'CaM A' of model 2 (from the original molecule number 1 of model 2). RelaxError: The new molecule name of 'CaM A' in model 2 does not match the corresponding molecule's name of 'CaM C' in model 1. _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?24300> _______________________________________________ Message sent via/by Gna! http://gna.org/ _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel