Hi all,
Does anybody know why I got this error message:
*Checking for embedded fcf data in CIF ...*
*No extractable fcf data in found in CIF*
as I uploaded the CIF file to https://checkcif.iucr.org/ for structure
validation? The CIF file was directly from phenix.refine during structure
rey
> Princeton
>
>
> On 4/20/23 4:02 PM, Ning Li wrote:
> > Hi all,
> >
> > Does anybody know why I got this error message:
> >
> > /Checking for embedded fcf data in CIF .../
> > /No extractable fcf data in found in CIF/
> >
> > as I upload
t;
> On Thu, 20 Apr 2023 16:34:18 -0400 Ning Li wrote:
>
> > Hi Phil,
> >
> > Thank you for the clarification, I didn't realize the CheckCIF is for
> > small molecules. We tried to submit the manuscript to a chemical
> > magazine and found "CheckCIF reports m
Hi everyone,
My crystal structure contains a ligand and I generated the cif file of the
ligand using phenix.elbow from the smiles file of the ligand. The ligand
was drawn and the smiles file was generated from
https://pubchem.ncbi.nlm.nih.gov//edit3/index.html. My problem is that the
double bond
.
>
> Cheers,
> Robbie
>
> > -Original Message-
> > From: CCP4 bulletin board On Behalf Of Ning Li
> > Sent: Monday, April 3, 2023 18:17
> > To: CCP4BB@JISCMAIL.AC.UK
> > Subject: [ccp4bb] Issue about cif file of ligand
> >
> > Hi everyo
