Re: [ccp4bb] Closed density map

2011-08-26 Thread Dale Tronrud
I think the number one criterion for choosing a map for a figure should be "What am I trying to show in this figure?" If you simply want an electron density mesh that covers your ligand calculate an Fcalc map. This type of figure is usually worthless in a research paper but may have value in

Re: [ccp4bb] Closed density map

2011-08-26 Thread Herman . Schreuder
I would calculate an omit map. Delete your ligand and use the resulting pdb file to calculate a map. Density for your ligand will show up as positive difference density. Herman From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of RONG hu