Re: [ccp4bb] Arp Waters vs coot find waters!

2010-04-19 Thread Anastassis Perrakis
Hi all - I must say that I do agree with Tim. Either Refmac/Coot or Refmac/ ARP_waters do a good job (so does other software) but I always check things manually. The most obvious problems with software are: -Putting waters in place of ions - when you think of chemistry you will realize tha

Re: [ccp4bb] Arp Waters vs coot find waters!

2010-04-17 Thread Tim Gruene
Dear Ivan, maybe I am too old-fashioned, but since I recommend to check each water manually after it has been placed, it does not really matter which program you use. Tim On Fri, Apr 16, 2010 at 06:02:40PM -0700, xaravich ivan wrote: > Hi everyone, > I am in the process of refining my structur

[ccp4bb] Arp Waters vs coot find waters!

2010-04-16 Thread xaravich ivan
Hi everyone, I am in the process of refining my structure. I have built almost the whole protein. Now its time to add waters. Should I do refinement in refmac5 with (adding waters running coot) or should I use Arp/wArp waters or both?. I have 2.15 Angs near data and about 1200 residues. Does it m