diff options
Diffstat (limited to 'Build/source/utils/asymptote/examples/pdb.asy')
-rw-r--r-- | Build/source/utils/asymptote/examples/pdb.asy | 21 |
1 files changed, 10 insertions, 11 deletions
diff --git a/Build/source/utils/asymptote/examples/pdb.asy b/Build/source/utils/asymptote/examples/pdb.asy index 43b771fdd0d..68cec9e3671 100644 --- a/Build/source/utils/asymptote/examples/pdb.asy +++ b/Build/source/utils/asymptote/examples/pdb.asy @@ -24,7 +24,7 @@ string filename="100d.pdb1"; string prefix=stripextension(filename); file data=input(filename); -pen color(string e) +pen color(string e) { e=replace(e," ",""); int n=length(e); @@ -33,7 +33,7 @@ pen color(string e) int index=find(Element == e); if(index < 0) return currentpen; return rgb(Hexcolor[index]); -} +} // ATOM string[] name,altLoc,resName,chainID,iCode,element,charge; @@ -42,7 +42,7 @@ real[][] occupancy,tempFactor; bool newchain=true; -struct bond +struct bond { int i,j; void operator init(int i, int j) { @@ -53,7 +53,7 @@ struct bond bond[] bonds; -struct atom +struct atom { string name; triple v; @@ -87,8 +87,8 @@ while(true) { serial=(int) substr(line,6,5); a.name=substr(line,76,2); a.v=((real) substr(line,30,8), - (real) substr(line,38,8), - (real) substr(line,46,8)); + (real) substr(line,38,8), + (real) substr(line,46,8)); } if(ATOM) { if(newchain) { @@ -109,12 +109,12 @@ while(true) { int i=(int) substr(line,6,5); while(true) { string s=replace(substr(line,11+k,5)," ",""); - if(s == "") break; + if(s == "") break; k += 5; int j=(int) s; if(j <= i) continue; bonds.push(bond(i,j)); - } + } } } @@ -158,7 +158,6 @@ string options; string viewfilename=prefix+".views"; if(!error(input(viewfilename,check=false))) - options="3Dviews="+viewfilename; + options="3Dviews="+locatefile(viewfilename); -shipout(prefix,options=options); -currentpicture.erase(); +shipout(options=options); |