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Hello Chris-- > > I am preparing for a Marvin/PASD run by outputting my chemical shift data > (from CARA) into a format which matches cvn_c13noe.shifts and > cvn_n15noe.shifts input files in the tutorial. I am wondering if I need to > include the following formation, using the cvn_c13noe.shift example, which I > have bolded below or if I can leave out this information. > Indeed, it looks like this section > EXP_PEAK_PICK_TBL is not needed, and also that only the chemical shift values (first two columns) are needed from the per-atom entries in the section starting with > RES_ID??? ??? 1 > RES_TYPE??? LEU > I should also point out that nmrdraw, nmrstar and xeasy formats are also supported. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkqB4HkACgkQPK2zrJwS/lbO2wCcC0PT9Gudech2MgcI91ofeNqS pc0Anic2jAmIlqMQNglivPL+ueqDg0tU =3J0X -----END PGP SIGNATURE-----
