- Timestamp:
- 09/05/08 11:49:42 (16 years ago)
- Branches:
- master
- Children:
- fafe4d6
- Parents:
- 2ebb8b6
- File:
-
- 1 edited
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helix.f
r2ebb8b6 rbd2278d 1 c**************************************************************2 c 3 cThis file contains the subroutines: helix4 c 5 cCopyright 2003 Frank Eisenmenger, U.H.E. Hansmann,6 cShura Hayryan, Chin-Ku7 cCopyright 2007 Frank Eisenmenger, U.H.E. Hansmann,8 cJan H. Meinke, Sandipan Mohanty9 c 10 c**************************************************************1 ! ************************************************************** 2 ! 3 ! This file contains the subroutines: helix 4 ! 5 ! Copyright 2003 Frank Eisenmenger, U.H.E. Hansmann, 6 ! Shura Hayryan, Chin-Ku 7 ! Copyright 2007 Frank Eisenmenger, U.H.E. Hansmann, 8 ! Jan H. Meinke, Sandipan Mohanty 9 ! 10 ! ************************************************************** 11 11 12 12 13 13 subroutine helix(nhel,mhel,nbet,mbet) 14 c---------------------------------------------------------------15 c 16 cPURPOSE: simple identification of secondary structure content17 c 18 cCALLS: none19 c 20 c---------------------------------------------------------------14 !--------------------------------------------------------------- 15 ! 16 ! PURPOSE: simple identification of secondary structure content 17 ! 18 ! CALLS: none 19 ! 20 ! --------------------------------------------------------------- 21 21 include 'INCL.H' 22 22 23 cf2py intent(out) nhel24 cf2py intent(out) mhel25 cf2py intent(out) nbet26 cf2py intent(out) mbet23 !f2py intent(out) nhel 24 !f2py intent(out) mhel 25 !f2py intent(out) nbet 26 !f2py intent(out) mbet 27 27 28 28 logical lhel,lbet … … 42 42 xphi = vlvr(iv)*crd 43 43 xpsi = vlvr(idvr(i+1))*crd 44 CHelicity44 ! Helicity 45 45 if(abs(xphi-philim).le.hlim) then 46 46 lbet=.false. … … 52 52 lhel = .false. 53 53 end if 54 CSheetness54 ! Sheetness 55 55 else if(abs(xphi-philim2).le.hlim2) then 56 56 lhel = .false.
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