Re: [ccp4bb] Adding water molecule and metal atom

2014-10-24 Thread Tim Gruene
Dear Pam, the Coot bug has long been worked out - Coot is now at release version 0.8. Best, Tim On 10/24/2014 04:02 PM, Pamela J Focia wrote: > > Until the Coot bug is worked out, why not simply change the water molecule > you want to be an ion into the atom you want it to be in the pdb file w

Re: [ccp4bb] Adding water molecule and metal atom

2014-10-24 Thread Roger Rowlett
Adding metal ions will work properly through the "Get Monomer" dialog in 0.7.2. Until Coot is updated (either manually or through a new CCP4 release) this is a reasonable workaround. ___ Roger S. Rowlett Gordon & Dorothy Kline Professor Department of Chemistry

Re: [ccp4bb] Adding water molecule and metal atom

2014-10-24 Thread Pamela J Focia
Until the Coot bug is worked out, why not simply change the water molecule you want to be an ion into the atom you want it to be in the pdb file with a text editor? -=pam On Oct 24, 2014, at 5:09 AM, Tim Gruene mailto:t...@shelx.uni-ac.gwdg.de>> wrote: Dear Jeorge, from the second last thr

Re: [ccp4bb] Adding water molecule and metal atom

2014-10-24 Thread Tim Gruene
Dear Jeorge, from the second last thread, I guess you are using Coot 0.7.2? Apparently this is a bug that you get around by updating Coot. Regards, Tim On 10/24/2014 10:13 AM, jeorgemarley thomas wrote: > Hi All, > > First of all sorry to ask such simple question over here. I have added > water

[ccp4bb] Adding water molecule and metal atom

2014-10-24 Thread jeorgemarley thomas
Hi All, First of all sorry to ask such simple question over here. I have added water molecule in my protein molecule in coot, also some Ba atom. I have added the water molecule manually as when it was added automatically the water added everywhere it find lobes of electron density. And also when I