From 660a41d7bcd584d4d28459cfb53089cbb73ae6eb Mon Sep 17 00:00:00 2001 From: Kurt Glaesmann Date: Thu, 16 Jul 2009 18:20:10 +0000 Subject: [PATCH] Revert --- src/prepar/ChangeLog | 2 -- src/prepar/pre_pdbseq.F | 24 ------------------------ src/prepar/pre_rdpdb.F | 24 ------------------------ 3 files changed, 50 deletions(-) diff --git a/src/prepar/ChangeLog b/src/prepar/ChangeLog index f0896c7d20..2c0c1749e9 100644 --- a/src/prepar/ChangeLog +++ b/src/prepar/ChangeLog @@ -118,5 +118,3 @@ Jan 29 1999 Add MODEL option Add input LINK command Add CHAIN option Change in topology format -Jul 2 2009 Add support for PDB files that left justify atomic type -Jul 16 2009 Fix pre_protein diff --git a/src/prepar/pre_pdbseq.F b/src/prepar/pre_pdbseq.F index d4f22e1799..49e60f3b8d 100644 --- a/src/prepar/pre_pdbseq.F +++ b/src/prepar/pre_pdbseq.F @@ -186,18 +186,6 @@ c if(nchain.eq.1) cseq(1,iseq)(4:5)='_N' latm(2,iatm)=pre_atnum(card(77:78)) if(latm(2,iatm).eq.0) latm(2,iatm)=pre_atnum(card(13:14)) catm(1,iatm)(1:4)=card(13:16) -c shift it to get justifcation correct - if (catm(1,iatm)(2:2) .eq. ' ') then - catm(1,iatm)(2:2) = catm(1,iatm)(3:3) - catm(1,iatm)(3:3) = catm(1,iatm)(4:4) - catm(1,iatm)(4:4) = ' ' - endif - if (catm(1,iatm)(2:2) .eq. ' ') then - catm(1,iatm)(2:2) = catm(1,iatm)(3:3) - catm(1,iatm)(3:3) = catm(1,iatm)(4:4) - catm(1,iatm)(4:4) = ' ' - endif -c read(card(31:54),'(3f8.3)') (xatm(j,iatm),j=1,3) endif goto 1 @@ -242,18 +230,6 @@ c if(nchain.eq.1) cseq(1,iseq)(4:5)='_N' latm(2,iatm)=pre_atnum(card(77:78)) if(latm(2,iatm).eq.0) latm(2,iatm)=pre_atnum(card(13:14)) catm(1,iatm)(1:4)=card(13:16) -c shift it to get justifcation correct - if (catm(1,iatm)(2:2) .eq. ' ') then - catm(1,iatm)(2:2) = catm(1,iatm)(3:3) - catm(1,iatm)(3:3) = catm(1,iatm)(4:4) - catm(1,iatm)(4:4) = ' ' - endif - if (catm(1,iatm)(2:2) .eq. ' ') then - catm(1,iatm)(2:2) = catm(1,iatm)(3:3) - catm(1,iatm)(3:3) = catm(1,iatm)(4:4) - catm(1,iatm)(4:4) = ' ' - endif -c read(card(31:54),'(3f8.3)') (xatm(j,iatm),j=1,3) endif goto 1 diff --git a/src/prepar/pre_rdpdb.F b/src/prepar/pre_rdpdb.F index 9af2b3f9d6..be41cd8ffb 100644 --- a/src/prepar/pre_rdpdb.F +++ b/src/prepar/pre_rdpdb.F @@ -149,18 +149,6 @@ c endif 1002 format(a6,6x,a4,a1,a3,1x,a1,i4,4x,3f8.3) 2002 format(a6,6x,a4,a1,a3,i6,4x,3f8.3) -c shift it to get justifcation correct - if (nama(2:2) .eq. ' ') then - nama(2:2) = nama(3:3) - nama(3:3) = nama(4:4) - nama(4:4) = ' ' - endif - if (nama(2:2) .eq. ' ') then - nama(2:2) = nama(3:3) - nama(3:3) = nama(4:4) - nama(4:4) = ' ' - endif -c if(util_print('where',print_debug)) then if(lrgpdb.eq.0) then write(lfnout,1002) hdr,nama,alocal,namr,achain,num,x,y,z @@ -168,18 +156,6 @@ c write(lfnout,2002) hdr,nama,alocal,namr,num,x,y,z endif endif -c shift it to get justifcation correct - if (nama(2:2) .eq. ' ') then - nama(2:2) = nama(3:3) - nama(3:3) = nama(4:4) - nama(4:4) = ' ' - endif - if (nama(2:2) .eq. ' ') then - nama(2:2) = nama(3:3) - nama(3:3) = nama(4:4) - nama(4:4) = ' ' - endif -c if(alocal.ne.' '.and.alocal.ne.altloc.and.altloc.ne.'*') goto 100 if(achain.ne.' '.and.achain.ne.chain.and.chain.ne.'*') goto 100 c