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 a SMILES string input. Dean Derbyshire wrote: > 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 idealising the > geometry. > > What do other people do? > > Thanks in advance > > Dean >
