protgeo_eh99.dat (V1.16) 20131014 STANDARD AMINO ACID DICTIONARY. BONDS AND ANGLES FROM ENGH AND HUBER EH99. OTHER VALUES BASED ON PREVIOUS TNT OR TAKEN FROM CCP4. INCLUDES HYDROGEN ATOMS.
exoticaa.dat (V1.14) 20120418 COLLECTION OF NON-STANDARD AMINO ACIDS, MAINLY EH91 WITHOUT IDEAL DISTANCE INFO
nuclgeo.dat (V1.27) 20120611
bcorrel.dat (V1.15) 20080423
contact.dat (V1.23) 20121002
idealdist_contact.dat (V1.11) 20121011 IDEAL-DISTANCE CONTACT TERM DATA AS USED IN PROLSQ. VALUES USED HERE ARE BASED ON THE REFMAC 5.5 IMPLEMENTATION.
restraints for 880 (CYCLOHEXYL-_4-_5-_3,4-DICHLOROPHENYL_-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL_-PYRIMIDIN-2-YL_AMINE) from cif dictionary 880.grade_PDB_ligand.cif; generated by GRADE_PDB_LIGAND 1.2.9 (pre-release) (June 15 2014) using MOGUL 1.6.1(DEV7), CSD as535be, with quantum mechanics RM1 ((DatabaseID PDB-880))
restraints for ANP (PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER) from cif dictionary ANP.cif; bUSTER common-compounds v 3.0, Generated by GRADE_PDB_LIGAND 1.2.9pre (June 16 2014) using MOGUL 1.6.1(DEV7), CSD as535be, with quantum mechanics RM1 ((DatabaseID PDB-ANP))