Hello, We are new relax users and are struggling to load structural information for each residue. We have tried loading a pdb file (attached) generated by Pymol after proton addition, however we get this error:
RelaxError: Multiple alternate location indicators are present in the PDB file, but the desired coordinate set has not been specified. When we set the "alternate location indicator" to any number (I have no clue which number it should be set to) it says the structure is loaded, but when trying to extract the atomic positions it spits out an error about no positional information could be found. Is there some sort of easy format that PDB files should be in so that relax can extract the information from them? Many thanks, Ian. _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@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-users
