Last active
April 20, 2016 15:43
-
-
Save dstoeckel/8bbfc8844f8d78973f0f to your computer and use it in GitHub Desktop.
Reads a PDB file passed via command line and displays its contents using a minimal BALL::VIEW application.
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
#include <BALL/FORMAT/PDBFile.h> | |
#include <BALL/KERNEL/system.h> | |
#include <BALL/STRUCTURE/secondaryStructureProcessor.h> | |
#include <BALL/VIEW/KERNEL/mainControl.h> | |
#include <BALL/VIEW/WIDGETS/scene.h> | |
#include <BALL/VIEW/MODELS/cartoonModel.h> | |
#include <BALL/VIEW/MODELS/standardColorProcessor.h> | |
#include <QtWidgets/QApplication> | |
BALL::System* importPDBFile(const char* fileName) | |
{ | |
BALL::System* system = new BALL::System(); | |
BALL::PDBFile infile; | |
infile.open(fileName); | |
infile >> *system; | |
BALL::FragmentDB db(""); | |
system->apply(db.normalize_names); | |
system->apply(db.build_bonds); | |
BALL::SecondaryStructureProcessor modProc; | |
system->apply(modProc); | |
return system; | |
} | |
void showPeptideRepresentation(BALL::System* system, BALL::VIEW::MainControl& control) | |
{ | |
control.insert(*system, "PDB File", false); | |
auto* scene = new BALL::VIEW::Scene(&control); | |
control.setCentralWidget(scene); | |
auto& repManager = control.getRepresentationManager(); | |
auto* rep = repManager.createRepresentation(); | |
rep->setComposite(system); | |
rep->setColorProcessor(new BALL::VIEW::SecondaryStructureColorProcessor()); | |
rep->setModelProcessor(new BALL::VIEW::AddCartoonModel()); | |
control.update(*rep); | |
repManager.focusRepresentation(*rep); | |
} | |
int main(int argc, char* argv[]) | |
{ | |
QApplication app(argc, argv); | |
BALL::VIEW::MainControl control; | |
control.registerThis(); | |
showPeptideRepresentation(importPDBFile(argv[1]), control); | |
control.show(); | |
return app.exec(); | |
} |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment