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Commit 3bed6a8d authored by Bienchen's avatar Bienchen
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Fixed BZDNG-223, on select backbone, both hydrogens of glycine get selected....

Fixed BZDNG-223, on select backbone, both hydrogens of glycine get selected. Selecting side chains now excludes all atoms included by selecting backbone, also the CA hydrogens of glycine.
parent 62fa6694
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......@@ -60,12 +60,12 @@ SceneMenu::SceneMenu() {
void SceneMenu::SelectBackbone()
{
this->Select("peptide=true and aname=CA,C,N,O");
this->Select("peptide=true and aname=CA,C,N,O,H,HA,OXT,HXT,HA2,HA3");
}
void SceneMenu::SelectSidechains()
{
this->Select("peptide=true and aname!=CA,C,N,O");
this->Select("peptide=true and aname!=CA,C,N,O,H,HA,OXT,HXT,HA2,HA3");
}
void SceneMenu::SelectLigands()
......
......@@ -59,9 +59,9 @@ EntityNode::EntityNode(gfx::EntityP& entity, SceneNode* parent):
SceneNode* quick_selection = new LabelNode("Quick Selection",this);
model->AddNode(this, quick_selection);
SceneNode* node = new EntityPartNode("Backbone", entity, mol::QueryViewWrapper(mol::Query("aname=CA,C,N,O and peptide=true"),entity->GetView()), quick_selection);
SceneNode* node = new EntityPartNode("Backbone", entity, mol::QueryViewWrapper(mol::Query("aname=CA,C,N,O,H,HA,OXT,HXT,HA2,HA3 and peptide=true"),entity->GetView()), quick_selection);
model->AddNode(quick_selection, node);
node = new EntityPartNode("Sidechains", entity, mol::QueryViewWrapper(mol::Query("aname!=CA,C,N,O and peptide=true"),mol::QueryFlag::EXCLUSIVE_BONDS,entity->GetView()), quick_selection);
node = new EntityPartNode("Sidechains", entity, mol::QueryViewWrapper(mol::Query("aname!=CA,C,N,O,H,HA,OXT,HXT,HA2,HA3 and peptide=true"),mol::QueryFlag::EXCLUSIVE_BONDS,entity->GetView()), quick_selection);
model->AddNode(quick_selection, node);
node = new EntityPartNode("Ligands", entity, mol::QueryViewWrapper(mol::Query("ishetatm=1 and rname!=HOH,WAT"),entity->GetView()), quick_selection);
model->AddNode(quick_selection, node);
......
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