On 19/05/15 11:55, Mohammad Khan wrote:
Dear all,
I have added hydrogens on my molecule using the Refmac option in Coot.
I now want to remove them. I tried various syntax but they didn't
work. Is there a simple way to remove them from the pdb?
This will create a new molecule that is a copy of molecule number 0
without hydrogens:
(new-molecule-by-atom-selection 0 "//*//*[!H]")
Moreover, if I do my refinemnets with hydrogens in it, will it affect
my results, other than maybe slowing down the process.
If you use hydrogens in refinement then no (or not much).
Paul.
