Dear Sean Fanning, you could try the grade server (grade.globalphasing.org). I don't know its size limit. It recognizes the ligand YJD from 2YJD and produces restraints for it.
In your case you may need to generate the mol2 file or SMILES string. I think openbabel could generate the mol2 file from the PDB file, I haven't tried. Best, Tim On 06/23/2015 05:17 PM, Sean Fanning wrote: > Dear CCP4 Users, > I have a structure containing a synthetic alpha helical peptide (similar to > the one found in PDB: 2YJD) for which I need to generate the restraints > (.cif). I have the PDB coordinates for the peptide but need the .cif for > refinement/fitting. Does anyone have any suggestions on how I could > generate this file? > Thank you very much, > Sean Fanning > -- -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen phone: +49 (0)551 39 22149 GPG Key ID = A46BEE1A
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