Dear all,
Thanks for your cooperation.
Regards,
Sudipta.
Sudipta Bhattacharyya,
Senior Research Fellow,
Department of Biotechnology,
Indian Institute of Technology Kharagpur, India.
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Dear Sudipta,
Use Phenix eLBOW. Give the input SMILES string and get the pdb and cif
restraint files as output. Also you can use
http://cactus.nci.nih.gov/translate/ to first get the pdb coordinate file from
the SMILES string and then run Phenix eLBOW to get the cif restraints.
Best regards,
Dear all,
Could anybody please tell me how to get the coordinate file and the cif
file for the trigonal bipyramidal (TBP) phosphorus (figure given below for
your convenience)? Prodrg server is not helping out in this issue. Thanks
in advance.
Regards,
Sudipta.
Sudipta Bhattacharyya
Senior Resear
