On 19/08/2024 14:42, Hu, Wenhao wrote:
Dear Jon,
Thank you so much for all your effort! I really appreciate it. I’ve
just tried to load the files, but unfortunately, it still won’t open
and continues to show the error message I’ve attached here.
Martin,
These are not restraints. They are not in mmCIF format (as Philip
Jeffrey says) - which is the format Coot expects for restraints. Coot -
an indeed any other program - will continue to give you error messages
if you read in a small molecule cif files as if they were restraints.
We, in the CCP4 world, typically use Acedrg to generate restraints. You
will need to generate a suitable input for Acedrg given your cif file.
The author of Acedrg would be in a good place to help you with that.
Have you ever played Street Fighter?
Paul.
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