X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M-SAXS-homology%2FCOMMON.CHAIN;h=7369baa1624373baf60c5f21aa472b834e22be19;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=fcbe11827f46146f0e16b78945b09bd4ff850525;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/wham/src-M-SAXS-homology/COMMON.CHAIN b/source/wham/src-M-SAXS-homology/COMMON.CHAIN index fcbe118..7369baa 100644 --- a/source/wham/src-M-SAXS-homology/COMMON.CHAIN +++ b/source/wham/src-M-SAXS-homology/COMMON.CHAIN @@ -1,13 +1,14 @@ integer nres,nres0,nsup,nstart_sup,nend_sup,nstart_seq, & ishift_pdb,chain_length,chain_border,ichanres,tabpermchain, & nchain ,npermchain,ireschain,iz_sc - double precision c,cref,dc,xloc,xrot,dc_norm,t,r,prod,rt, - & rmssing,anatemp + double precision c,cref,crefjlee,dc,xloc,xrot,dc_norm,t,r,prod,rt, + & rmssing,anatemp,chomo common /chain/ c(3,maxres2+2),dc(3,maxres2),xloc(3,maxres), & xrot(3,maxres),dc_norm(3,maxres2),nres,nres0 common /rotmat/ t(3,3,maxres),r(3,3,maxres),prod(3,3,maxres), & rt(3,3,maxres) - common /refstruct/ cref(3,maxres2+2),rmssing,anatemp,iz_sc,nsup, + common /refstruct/ cref(3,maxres2+2),crefjlee(3,maxres2+2), + & rmssing,anatemp,iz_sc,nsup, & nstart_sup,nend_sup,chain_length(maxchain),npermchain, & ireschain(maxres),tabpermchain(maxchain,maxperm), & chain_border(2,maxchain),nchain,nstart_seq,ishift_pdb @@ -16,4 +17,4 @@ & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick common /box/ boxxsize,boxysize,boxzsize,enecut,sscut,sss,sssgrad, & buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick - + common /chomo_models/ chomo(3,maxres2+2,max_template)