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Fixed protein loader (HETATM) #112

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merged 1 commit into from
Jan 31, 2017
Merged

Fixed protein loader (HETATM) #112

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13 changes: 10 additions & 3 deletions brayns/io/ProteinLoader.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -72,7 +72,7 @@ struct ProteinColorMap
short R,G,B;
};

const size_t colorMapSize = 119;
const size_t colorMapSize = 113;
static ProteinColorMap colorMap[colorMapSize] = {
{ "H", 0xDF,0xDF,0xDF} ,
{ "He",0xD9,0xFF,0xFF} ,
Expand Down Expand Up @@ -182,7 +182,13 @@ static ProteinColorMap colorMap[colorMapSize] = {
{ "Sg",0xD9,0x00,0x45} ,
{ "Bh",0xE0,0x00,0x38} ,
{ "Hs",0xE6,0x00,0x2E} ,
{ "Mt",0xEB,0x00,0x26}
{ "Mt",0xEB,0x00,0x26},

// TODO
{ "",0xFF,0xFF,0xFF},
{ "",0xFF,0xFF,0xFF},
{ "",0xFF,0xFF,0xFF},
{ "",0xFF,0xFF,0xFF}
};

static AtomicRadius atomic_radii[colorMapSize] = // atomic radii in microns
Expand Down Expand Up @@ -330,12 +336,13 @@ bool ProteinLoader::importPDBFile(
std::string line;
std::string value;
std::getline( file, line );
if( line.find( "ATOM" ) == 0 )
if( line.find( "ATOM" ) == 0 || line.find( "HETATM" ) == 0)
{
// Atom
Atom atom;
atom.chainId = 0;
atom.residue = 0;
atom.processed = false;
atom.index = index;
index++;
std::string atomName;
Expand Down
Binary file modified tests/testdataProtein.bin
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Binary file modified tests/testdataProteinStereo.bin
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