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In case you were unsuccessful with exercises 6-8 in terms of getting a working ligand library file, do not dispair! There is an easy workaround that you may be able to use in the real case as well, converting a pdb file to a library file for CYANA.Use
- If you have a PDB file, use Avogadro:
File --> Open
Open the 5c5aLig.pdb
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Rename the Residue to LIG in the LIG.mol2 file.
- If you already have a mol2 file:
./cylib-2.0/cylib -nc -sc LIG.mol2
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