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.
| editor.py (pymol-v2.1.0.tar.bz2) | : | editor.py (pymol-open-source-2.2.0) |
|---|
| | |
| skipping to change at line 383 | | skipping to change at line 383 |
|---|
| resi = int(part[-2]) | | resi = int(part[-2]) |
| if len(part)>2: | | if len(part)>2: |
| chain = part[-3] | | chain = part[-3] |
| if len(part)>3: | | if len(part)>3: |
| segi = part[-4] | | segi = part[-4] |
| if len(sequence) and not _self.count_atoms("?pk1"): # new polyme
r segment | | if len(sequence) and not _self.count_atoms("?pk1"): # new polyme
r segment |
| tmp_obj = _self.get_unused_name() | | tmp_obj = _self.get_unused_name() |
| first = sequence.pop() | | first = sequence.pop() |
| _self.fragment(code[first], tmp_obj) | | _self.fragment(code[first], tmp_obj) |
| if not hydro: | | if not hydro: |
|
| cmd.remove(tmp_obj + ' and hydro') | | _self.remove(tmp_obj + ' and hydro') |
| _self.alter(tmp_obj,'resi="""%s""";chain="""%s""";segi="""%s
"""'%(resi,chain,segi)) | | _self.alter(tmp_obj,'resi="""%s""";chain="""%s""";segi="""%s
"""'%(resi,chain,segi)) |
| _self.create(name,tmp_obj+" or ?"+name,1,1,zoom=0) | | _self.create(name,tmp_obj+" or ?"+name,1,1,zoom=0) |
| tmp_sel = _self.get_unused_name() | | tmp_sel = _self.get_unused_name() |
| if mode == 'peptide': | | if mode == 'peptide': |
| if dir>0: | | if dir>0: |
| _self.select(tmp_sel,"name C and "+tmp_obj) | | _self.select(tmp_sel,"name C and "+tmp_obj) |
| resi = resi + 1 | | resi = resi + 1 |
| else: | | else: |
| _self.select(tmp_sel,"name N and "+tmp_obj) | | _self.select(tmp_sel,"name N and "+tmp_obj) |
| resi = resi - 1 | | resi = resi - 1 |
| | | |
| End of changes. 1 change blocks. |
|---|
| 1 lines changed or deleted | | 1 lines changed or added |
|---|
"Fossies" - the Fresh Open Source Software Archive 