X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fxdrfpdb%2Fsrc-M%2Fnazwy.f;fp=source%2Fxdrfpdb%2Fsrc-M%2Fnazwy.f;h=d495120754a792aa27226a120af2fdcf45a48d43;hb=8240250d17b6fe7bc28f03d503d5f9c6ad935297;hp=9f61cfb5d1959e2a473675326e3472695c10f873;hpb=c71a905b2a21b14efa07284b5feeb3a05828e44a;p=unres.git diff --git a/source/xdrfpdb/src-M/nazwy.f b/source/xdrfpdb/src-M/nazwy.f index 9f61cfb..d495120 100644 --- a/source/xdrfpdb/src-M/nazwy.f +++ b/source/xdrfpdb/src-M/nazwy.f @@ -4,10 +4,17 @@ include 'COMMON.NAMES' include 'COMMON.FFIELD' data restyp / + &'DD','DAU','DAI','DDB','DSM','DPR','DLY','DAR','DHI','DAS','DGL', + & 'DSG','DGN','DSN','DTH', + &'DYY','DAL','DTY','DTR','DVA','DLE','DIL','DPN','MED','DCY','ZER', &'CYS','MET','PHE','ILE','LEU','VAL','TRP','TYR','ALA','GLY','THR', - &'SER','GLN','ASN','GLU','ASP','HIS','ARG','LYS','PRO','D'/ + &'SER','GLN','ASN','GLU','ASP','HIS','ARG','LYS','PRO','SME','DBZ', + &'AIB','ABU','D'/ data onelet / + &'z','z','z','z','z','p','k','r','h','d','e','n','q','s','t','g', + &'a','y','w','v','l','i','f','m','c','x', &'C','M','F','I','L','V','W','Y','A','G','T', - &'S','Q','N','E','D','H','R','K','P','X'/ + &'S','Q','N','E','D','H','R','K','P','z','z','z','z','X'/ + data potname /'LJ','LJK','BP','GB','GBV'/ end