1c 2c 3c ################################################### 4c ## COPYRIGHT (C) 1992 by Jay William Ponder ## 5c ## All Rights Reserved ## 6c ################################################### 7c 8c ########################################################### 9c ## ## 10c ## subroutine getpdb -- get a Protein Data Bank file ## 11c ## ## 12c ########################################################### 13c 14c 15c "getpdb" asks for a Protein Data Bank file name, 16c then reads in the coordinates file 17c 18c 19 subroutine getpdb 20 use inform 21 use iounit 22 implicit none 23 integer ipdb,nask 24 integer freeunit 25 logical exist 26 character*240 pdbfile 27c 28c 29c try to get a filename from the command line arguments 30c 31 call nextarg (pdbfile,exist) 32 if (exist) then 33 call basefile (pdbfile) 34 call suffix (pdbfile,'pdb','old') 35 inquire (file=pdbfile,exist=exist) 36 end if 37c 38c ask for the user specified input structure filename 39c 40 nask = 0 41 do while (.not.exist .and. nask.lt.maxask) 42 nask = nask + 1 43 write (iout,10) 44 10 format (/,' Enter Protein Data Bank File Name : ',$) 45 read (input,20) pdbfile 46 20 format (a240) 47 call basefile (pdbfile) 48 call suffix (pdbfile,'pdb','old') 49 inquire (file=pdbfile,exist=exist) 50 end do 51 if (.not. exist) call fatal 52c 53c first open and then read the PDB coordinates file 54c 55 ipdb = freeunit () 56 open (unit=ipdb,file=pdbfile,status='old') 57 rewind (unit=ipdb) 58 call readpdb (ipdb) 59 close (unit=ipdb) 60 return 61 end 62