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.
Problems Loading PDB