Re: [COOT] Reading .cif files from PDB

Sat, 24 Aug 2019 01:05:11 -0700

Hi Eleanor

It this case that won't work as the CIF files we produce don't have F and sigF columns. 

John

On 24 Aug 2019 07:44, Eleanor Dodson <eleanor.dod...@york.ac.uk> wrote:
You can read your cif file and convert it to an mtz - easy with the GUI - import merged data task - then read it into coot as always..
eleanor

On Fri, 23 Aug 2019 at 21:17, John Berrisford <jmb@ebi.ac.uk> wrote:

Dear Mark

 

In the mean time please see the instructions at

https://www.wwpdb.org/validation/2017/FAQs#convert-edmap-coef

 

Regards

 

John

 

From: Mailing list for users of COOT Crystallographic Software <COOT@JISCMAIL.AC.UK> On Behalf Of Paul Emsley
Sent: 23 August 2019 19:07
To: COOT@JISCMAIL.AC.UK
Subject: Re: Reading .cif files from PDB

 

 

On 23/08/2019 17:05, Mark Saper wrote:

The sf-annotate_P1.cif file that I have generated for PDB submission contains the map coefficients along with the observed structure factors.

_refln.pdbx_FWT 

_refln.pdbx_PHWT 

_refln.pdbx_DELFWT 

_refln.pdbx_DELPHWT 

 

Is there any way that Coot can read these columns from a CIF file and calculate a map?

 

 

Not at the moment. It's on the list. Actually, it's a feature that needs to be added to Clipper. Once it's done, many CCP4 programs will be able to read such cif files also.

Paul.

 

 

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