On 8/15/24 15:01, Tang, Jiazhi wrote:
--
It happens sometimes when you can not open the downloaded cif files
properly.
One solution is to draw the compound yourself in Chemdraw, copy the
smiles and generate the cif in Elbow within the phenix suit or other
ligand software within ccp4. Just be careful if the ligand contains
ions, which could cause some issues.
While true, this is not The CCP4 Way.
The CCP4 Way is to draw the ligand with Lidia or Layla or Lhasa (part of
moorhen.org) and feed the output SMILES (or MolFile) to Acedrg.
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