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
Hello everyone
I am currently working with a protein shaped like dumbbell, with two
well folded domains connected by a fixable linker in meddle. Anticipating
movement at the hinge I asked Phaser to treat these two domains as separate
entities. Phaser provided me with a solution but it
