Thanks- that works!
pdb-redo/tools/cif2cif in.cif out.cif
eab
On 03/13/2018 05:47 PM, Robbie Joosten wrote:
> Hi Ed,
>
> The pdb-redo program cif2cif does that. I implemented this feature because there was no obvious CCP4 program that did this. You have to have your data in mmCIF format though.
>
> Cheers,
>
> Robbie
>
> Sent from my Windows 10 phone
>
> ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
> *From:* CCP4 bulletin board <[log in to unmask]> on behalf of Edward A. Berry <[log in to unmask]>
> *Sent:* Tuesday, March 13, 2018 10:25:25 PM
> *To:* [log in to unmask]
> *Subject:* [ccp4bb] How to get Imean/SIGImean from separated anomalous data?
> I want to work with an mmcif file that has I+,sigI+,I-,SigI-;
> in different columns for each reflection (no Imean).
> cif2mtz gives those same columns in the output mtz, with or without ANOMALOUS keyword.
> cif2mtz and truncate seem to need the anomalous data as separate reflections hkl and -h-k-l in order to calculate Imean or Fmean. What is the best way to do this?
> Thanks,
> eab
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