Re: [ccp4bb] Covert Structure Factor to mtz

2012-05-18 Thread martyn . winn
board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Jon Agirre Sent: 18 May 2012 09:34 To: ccp4bb Subject: Re: [ccp4bb] Covert Structure Factor to mtz I completely agree with Paul. That information could even be enclosed by two commentary sections (i.e. '# Added by wwPDB mm-dd-

Re: [ccp4bb] Covert Structure Factor to mtz

2012-05-18 Thread Jon Agirre
I completely agree with Paul. That information could even be enclosed by two commentary sections (i.e. '# Added by wwPDB mm-dd- hh:mm' and '') to highlight the changes. Jon 2012/5/18 Paul Emsley > On 17/05/12 20:16, martyn.w...@stfc.ac.uk wrote: > >> Reflection cif files

Re: [ccp4bb] Covert Structure Factor to mtz

2012-05-17 Thread Paul Emsley
On 17/05/12 20:16, martyn.w...@stfc.ac.uk wrote: Reflection cif files from the PDB do not always have cell and symmetry information in them, particularly the older ones, and it sounds like this is your case. My understanding is that these days they should have - and if you find such examples

Re: [ccp4bb] Covert Structure Factor to mtz

2012-05-17 Thread Bernhard Rupp (Hofkristallrat a.D.)
martyn.w...@stfc.ac.uk Sent: Thursday, May 17, 2012 12:16 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Covert Structure Factor to mtz Reflection cif files from the PDB do not always have cell and symmetry information in them, particularly the older ones, and it sounds like this is your case

Re: [ccp4bb] Covert Structure Factor to mtz

2012-05-17 Thread Uma Ratu
opy the cell information from the PDB > web page into the ccp4i interface before running. > > HTH > Martyn > > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Uma > Ratu > Sent: 17 May 2012 20:04 > To: ccp4bb > Subject: [ccp4bb] Covert Structure Factor

Re: [ccp4bb] Covert Structure Factor to mtz

2012-05-17 Thread martyn . winn
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Uma Ratu Sent: 17 May 2012 20:04 To: ccp4bb Subject: [ccp4bb] Covert Structure Factor to mtz Dear All: I try to convert the .cif files (the structure factor files from PDB) to mtz file. >From ccp4i, I chose "convert t

[ccp4bb] Covert Structure Factor to mtz

2012-05-17 Thread Uma Ratu
Dear All: I try to convert the .cif files (the structure factor files from PDB) to mtz file. >From ccp4i, I chose "convert to/modify/extend mtz" for this purpose. But program keep complanining: "no cell information in keywords or files" I open the .cif file in text, and could not find any info