#!/bin/csh -f # rwdict.com prepares the other part... # distang \ XYZIN ~lawson/mucoc6/ic6.pdb \ KHCONN ic6d.kh \ << 'END-prjang' SYMM 1 list 10 dist all angle output khconn RADI CA 0.8 N 0.8 O 0.8 S 0.8 C 0.8 OW 0.8 I 1.3 P 1.0 from atom 1 to 100 to atom 1 to 100 END 'END-prjang' # # # distang \ XYZIN 2hfl.pdb \ << 'END-distang' SYMM 4 dist vdw INTRA RADI C 1.5 CA 1.5 N 1.5 O 1.5 OW 1.6 FROM ATOM 1 TO 1000 ! See documentation for alternatives TO ATOM 1001 to 200000 ! See documentation for alternatives END 'END-distang' # # # # Writing out PROTIN dictionary type entry. # distang \ KHCONN hi7-s.kh \ XYZIN ../quanta/hi7-s.pdb \ << 'eof' SYMM 1 dist all angle output khconn RADI CA 0.8 N 0.8 O 0.8 S 0.8 C 0.8 OW 0.8 from atom 1 to 100 to atom 1 to 100 END 'eof' # #