[ccp4bb] pdb format problem of an intermolecular disulfide bond from different symmetric units

2015-06-28 Thread Zhongzhou Chen
Hello, everyone,o:p/o:pnbsp;Recently, we found an intermolecular disulfide bond from different symmetric units. I want to define it to refine, such as by refmac5. nbsp;I know the regular format of a disulfide bond in the same symmetric unit and show it as below.o:p/o:pnbsp;SSBONDnbsp;nbsp; 1

Re: [ccp4bb] Interesting DNA contamination

2015-06-28 Thread Guenter Fritz
Dear Stefan, just saw this after reading post: http://www.nature.com/nature/journal/v522/n7557/full/nature14559.html Best, Guenter Pramod, You already got good suggestions on how to handle DNA contamination in protein preparations. Let me point out briefly that you haven't demonstrated yet

[ccp4bb] analysing conserved waters in two related structures

2015-06-28 Thread Rex Palmer
Can anyone suggest a method/program for analysing conserved waters between two related protein structures? Rex Palmer http://www.bbk.ac.uk/biology/our-staff/emeritus-staff http://www.springer.com/978-1-4614-3954-7

Re: [ccp4bb] pdb format problem of an intermolecular disulfide bond from different symmetric units

2015-06-28 Thread Eleanor Dodson
you add something like 2555 to define the required symmetry operator on the ssbond line. - the exact format is described in the pdb convention. But I think refmac does it i think if you as it to make disulphides. Eleanor On 28 June 2015 at 09:33, Zhongzhou Chen zhongzhouc...@sohu.com wrote:

Re: [ccp4bb] pdb format problem of an intermolecular disulfide bond from different symmetric units

2015-06-28 Thread Zhongzhou Chen
Dear Prof. Eleanornbsp;Dodson,o:p/o:p o:pnbsp;/o:p nbsp;Thanks for your good suggestion.o:p/o:p It works for my pdb.o:p/o:p o:pnbsp;/o:p Best,o:p/o:pzhongzhougt;nbsp;you add something like 2555 to define the required symmetry operator on the ssbond line. - the exact format is described in

Re: [ccp4bb] imosflm errors

2015-06-28 Thread xaravich ivan
Thanks Jurgen, But there is no space in the last directory, I do not know where it is coming from. Its really making me crazy, because I have 0.95 Angs data of a long peptide, I wanted to solve it over the weekend!! I have no clue why this is happening Thanks for your suggestion! On Sun, Jun 28,

Re: [ccp4bb] imosflm errors

2015-06-28 Thread xaravich ivan
Thanks for your suggestion, Jurgen I tried xia2 and tried it several times, turning the machine off, rebooting, using different data sets, exiting ccp4i but every time it gives this error msg.(attached) On Sun, Jun 28, 2015 at 2:16 PM, Jurgen Bosch jbos...@jhu.edu wrote: Try xia2 from ccp4i