1 Mar
2011
1 Mar
'11
6:18 a.m.
Hi Jared,
2. In PyMOL (or another similarly capable program), load the molecule, remove the unwanted hydrogens, and save the new pdb. If you're not familiar with PyMOL selection syntax, try something like this:
load model_reduce.pdb remove (elem H and not resi 10) save model_resi10_H.pdb, model_reduce
you could do it in PHENIX: phenix.pdbtools model_with_H.pdb remove="element H and not (chain A and resseq 10)" Pavel.