Hi Jason, I have added an option in phenix.ligandfit to allow a fixed ligand. This should be available starting tomorrow. For your purposes, the keywords will be: fixed_ligand=True refine_ligand=False Let me know if that doesn't do what you need! All the best, Tom T ________________________________________ From: [email protected] [[email protected]] on behalf of Phan, Jason [[email protected]] Sent: Tuesday, June 17, 2014 3:04 PM To: [email protected] Subject: [phenixbb] Rigid ligand placement into density map Hi All, Is there an option or flag in Phenix LigandFit to place the ligand rigidly with pre-generated conformations without torsional adjustments? Would setting "conformers = 1" and "refine_ligand = false" work? Coot Find Ligand with the "flexible" option unchecked seems to work but it won't tell you which original conformer (SD file) the "fitted ligand" comes from since all the conformers have the same residue name and number. Coot doesn't write out SD format either so any ID associated with the original conformer is lost. Jason _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb