It looks like the new Coot no longer recognizes * for the sugar atoms in ATP,
UDP, etc.
Has anyone else had this problem?
On 21/09/11 16:10, Mike wrote:
It looks like the new Coot no longer recognizes * for the sugar atoms in ATP,
UDP, etc.
That's right.
Has anyone else had this problem?
Yes.
I think the solution for now is to run molprobity's remediator.
A longer-term solution is for Coot - or a ccp4
I don't know it. sorry.
Perhaps (most likely in fact) this has been asked and addressed in the past:
is there (or will there be) a way in COOT to 'build' ligands from scratch?
Currently I go through a long winded route of Sketcher... importing and pulling
the coords around to fit electron density... then finally
If you can define a SMILES string for your ligand, you can get coot to
build the ligand with the press of a button in a fraction of a second.
If the SMILES syntax is a PITA, use this:
http://www.molinspiration.com/cgi-bin/properties
If you need more options, phenix.elbow also permits you to use
Hi,
I'm wondering why adding alternate conformations to ligands (i.e. non
amino acid residues) restricts the occupancy ratio to 50:50. I
understand that ligands don't have rotamers (at least not ones that
coot would know about) so I can't pick rotamers but I'd like to be
able to specify the
