Debreczeni, Judit wrote:
>> Would be great if glycerol (GOL) could be added to the standard options
>> in the add atom at pointer menu. Its not an atom, but neither are SO4
>> or PO4 and they are in list, and it pops up frequently for structures
>> using glycerol in cryo.
>
> It can be indeed somewhat frustrating to click a dozen times just to add a single solvent
> molecule (get-monomer, delete-hydrogens, merge-molecules etc). However, I'd agree that
> Place atom at pointer may not be the right place for such molecules.
>
> Below a quick-and-dirty script that does more-or-less the same for frequently used
> cryoprotectants, or basically anything that has a complete cif description. (I use
> it as an extension, so it's just one mouse-click away.)
Just a quick note: JED's nice ligand script will crash Coot if you
don't have libcheck (CCP4) set up before-hand. As of revision 407 that
problem is resolved. Also (as of 407) Coot checks for the result of a
previous libcheck run before running it again, which will speed up
multiple placements of ligands/monomers. It should also work with
cryoprotectants with minimal descriptions. Hopefully that'll put to bed
Mark's request.
Also, I've slightly recast the script so that it is a little more
obvious how to use this as an extension. With your permission, JED, I
think this would be good for the Wiki.
Paul.
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