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Hello Misbah-- > I am working on the NMR structure determination of a small molecule.I > would like to know where can I find the Python script? > The standard script eginput/gb1_rdc/anneal.py should work fine, with a caveat: for small molecules you have to determine and input topology and parameter information. You mmight look at http://davapc1.bioch.dundee.ac.uk/programs/prodrg/ for this purpose. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkpxuz8ACgkQPK2zrJwS/lYB2gCfbsIHBHVKqy4lTNDn5+g9BGFR pFYAn3w65qrLT0uTgV3kNhudQ16Y81nk =jgcj -----END PGP SIGNATURE-----
