[ccp4bb] Sketcher and stereochemistry

2007-03-19 Thread Vu Thai
Hi All, I was wondering how to properly define the stereochemistry for a new ligand in sketcher. In the sketcher interface there are three columns after the stereochem sign option. I would assume that the order in which you enter the chiral neighbors would effect the sign that you choose for you

Re: [ccp4bb] Sketcher and stereochemistry

2007-03-19 Thread Vu Thai
ocs/theory/chiral.html > >(I did a Google of "ccp4 chiral" to find it.) > >Dale Tronrud > >Vu Thai wrote: >> Hi All, >> >> I was wondering how to properly define the stereochemistry for a new ligand >> in sketcher. In the sketcher interface th

[ccp4bb] Resid for occupancy

2007-08-28 Thread Vu Thai
Hi, I have a protein that binds nucleotides, and in my structure, it appears that the binding pocket is partial occupied by ADP and AMP; the beta phosphate of ADP is transfered to another molecule. I want to refine the structure with both ADP and AMP modeled in the sight and manually vary their o