is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.
| builder.py (pymol-v1.8.6.0.tar.bz2) | : | builder.py (pymol-v2.1.0.tar.bz2) |
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| | |
| skipping to change at line 101 | | skipping to change at line 101 |
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| self.clean_obj = None | | self.clean_obj = None |
| ActionWizard.__init__(self,_self) | | ActionWizard.__init__(self,_self) |
| | |
| def run_job(self): | | def run_job(self): |
| if active_sele in self.cmd.get_names("selections"): | | if active_sele in self.cmd.get_names("selections"): |
| obj_list = self.cmd.get_object_list(active_sele) | | obj_list = self.cmd.get_object_list(active_sele) |
| if len(obj_list)==1: | | if len(obj_list)==1: |
| self.cmd.unpick() | | self.cmd.unpick() |
| self.cmd.set_wizard() | | self.cmd.set_wizard() |
| self.cmd.refresh_wizard() | | self.cmd.refresh_wizard() |
|
| self.cmd.do("_ cmd.clean('%s',message='''Cleaning %s...''',async | | self.cmd.do("_ cmd.clean('%s',message='''Cleaning %s...''',async |
| =1)"%(active_sele,obj_list[0])) | | _=1)"%(active_sele,obj_list[0])) |
| # computing.CleanJob(self.cmd,active_sele, | | |
| # message="Cleaning %s..."%obj_list[0]) | | |
| | |
| def do_pick(self, bondFlag): | | def do_pick(self, bondFlag): |
| if active_sele in self.cmd.get_names("selections"): | | if active_sele in self.cmd.get_names("selections"): |
| obj_list = self.cmd.get_object_list(active_sele) | | obj_list = self.cmd.get_object_list(active_sele) |
| if len(obj_list)!=1: | | if len(obj_list)!=1: |
| self.cmd.delete(active_sele) | | self.cmd.delete(active_sele) |
| else: | | else: |
| self.cmd.select(active_sele, "byobj pk1") | | self.cmd.select(active_sele, "byobj pk1") |
| self.cmd.unpick() | | self.cmd.unpick() |
| self.cmd.deselect() | | self.cmd.deselect() |
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| skipping to change at line 448 | | skipping to change at line 446 |
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| | |
| class ValenceWizard(RepeatableActionWizard): | | class ValenceWizard(RepeatableActionWizard): |
| | |
| def cleanup(self): | | def cleanup(self): |
| self.cmd.button('single_left','none','PkAt') | | self.cmd.button('single_left','none','PkAt') |
| self.cmd.button('double_left','none','MovA') | | self.cmd.button('double_left','none','MovA') |
| | |
| def do_pick(self, bondFlag): | | def do_pick(self, bondFlag): |
| self.cmd.select(active_sele, "bymol pk1") | | self.cmd.select(active_sele, "bymol pk1") |
| if bondFlag: | | if bondFlag: |
|
| if self.order>=0: | | if int(self.order)>=0: |
| self.cmd.valence(self.order, "pk1", "pk2") | | self.cmd.valence(self.order, "pk1", "pk2") |
| self.cmd.h_fill() | | self.cmd.h_fill() |
| else: | | else: |
| self.cmd.cycle_valence() | | self.cmd.cycle_valence() |
| self.cmd.unpick() | | self.cmd.unpick() |
| else: | | else: |
| self.cmd.button('double_left','none','PkBd') | | self.cmd.button('double_left','none','PkBd') |
| self.cmd.button('single_left','none','PkBd') | | self.cmd.button('single_left','none','PkBd') |
| self.cmd.unpick() | | self.cmd.unpick() |
| if not self.getRepeating(): | | if not self.getRepeating(): |
| | | |
| End of changes. 2 change blocks. |
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| 5 lines changed or deleted | | 3 lines changed or added |
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"Fossies" - the Fresh Open Source Software Archive 