Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Robbie Joosten
The server seems to be up again. Give it another try. Cheers, Robbie > Date: Tue, 2 Aug 2011 12:43:43 -0700 > From: bourn...@yahoo.com > Subject: Re: [ccp4bb] Sodium ion vs. Water > To: robbie_joos...@hotmail.com; CCP4BB@JISCMAIL.AC.UK >

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread ccp4
Search for Metal Cordination sites in Proteins. It takes you to a site set up by Marjorie Harding which gives a table of known metal coordination extracted from the PDB including Na. Of course there may be errors in the PDB entries but it is very helpful I find Eleanorr On Tue, 2 Aug 2011 13:3

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Sean Seaver
Hi Jacob, Darn that site doesn't seem to be working. I generated the files ion files and thought it was good to go, but didn't view the outputs. Apologies, Sean Seaver P212121 http://store.p212121.com/

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread sujata halder
Hi, I decided to give the server a try...and the output is: FILE NOT FOUND: /prod/tmp/individual_validation/output_wasp/25854/bindividual6Na.ion Either my pdb does not have any metal ions or this server is currently not working. Sujata On Tue, Aug 2, 2011 at 5:04 PM, Sean Seaver wrote: > > Hi

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Sean Seaver
Hi Christina, The WASP server seems to working at this location (about half way down the page): http://www.jcsg.org/prod/scripts/validation/sv2.cgi I hope that helps. Take Care, Sean P212121 http://store.p212121.com/

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Christina Bourne
Subject: Re: [ccp4bb] Sodium ion vs. Water Dear Young-Jin, If you model it as water, you can use WASP. It's an old program but still accesible here: http://xray.bmc.uu.se/cgi-bin/gerard/rama_server.pl Cheers, Robbie > Date: Tue, 2 Aug 2011 14:24:

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Robbie Joosten
randeis.edu > Subject: [ccp4bb] Sodium ion vs. Water > To: CCP4BB@JISCMAIL.AC.UK > > Dear CCP4 experts, > > I would like to ask if there is a clear way to distinguish Na+ and HOH > molecules in the electron density map. The table I have suggests Na > to O distance lies between

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Jacob Keller
I asked the CCP4 experts this question a while back--maybe try searching the archive? There were some very helpful comments. Jacob On Tue, Aug 2, 2011 at 1:24 PM, Young-Jin Cho wrote: > Dear CCP4 experts, > > I would like to ask if there is a clear way to distinguish Na+ and HOH > molecules in t

[ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Young-Jin Cho
Dear CCP4 experts, I would like to ask if there is a clear way to distinguish Na+ and HOH molecules in the electron density map. The table I have suggests Na to O distance lies between 2.35 and 2.45 that is very hard to discern the difference of these two candidates. Na+ may have several coordin