Re: [ccp4bb] Watertidy troubles

2009-04-27 Thread Andrii Ishchenko
You can do this using coot. Just switch on showing symmetry mates(menu Draw->Cell&Symmetry). Then save the needed by "Save Symmetry Coordinates Option" in menu File. Waters coordinates will be saved as well. Regards, Andrii

[ccp4bb] Watertidy troubles

2009-04-24 Thread Borhani, David
I'm running watertidy to move all waters to the (symmetry-related) position closest to my protein. One protein chain (A), 144 waters (chain W). Trouble is, one round of watertidy doesn't move many of the waters (e.g., a water only 2.7 Ang. from a carbonyl oxygen of a symm-related protein was not m