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 (
; To: CCP4BB@JISCMAIL.AC.UK
> Subject: [ccp4bb] Issue about cif file of ligand
>
> 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
.
>
> 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
al 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 everyone,
> >
> > My crystal structure contains a ligan