4. To select specific atoms by name: select my_main_chain_atoms, 1t46///N+CA+C 5. To select one or more chains: select my_chain, A+B// select my_chains, 1uwh//A+B// 6. To select atoms in multiple objects 7. select my_object, 1uwh///CA or 1t46///CA©2022...
在命令栏中输入：select active, byres all within 5 of 1此时，目的氨基酸将被选中，修改这些被选中...
- - -merge enum no Merge multiple chains into a single [moleculetype]: no, all or interactive - - -ff string select Force field, interactive by default. Use -h for information. - - -water enum select Water model to use: select, none, spc, spce, tip3p, tip4p or tip5p - - -[no...
Opensource molecular visualization system. Fork of http://sourceforge.net/projects/pymol/ We provide pymol windows installer for python2.7, for both pymol 1.5 and pymol 1.6 - pymol/pymol/ChangeLog at master · evonove/pymol
EXAMPLE SCRIPTS load ../data/pdb1a30.ent 27 # Hide everything hide everything # Show cartoons for the protein, colouring the two chains differently show cartoon color lime, chain A color pink, chain B # Select the inhibitor select inhib, chain C show sticks, inhib color red, inhib # ...
The shortcutPWtakes one or more search terms and then sends them to the PyMOL Wiki. A browser tab opens for each search term, so multiple searches are run in parallel while you continue your work in PyMOL. You can inspect the results of the searches when there is a natural break in ...
chains = [x[2] for x in aaDict['aaList']] reNeedle = re.compile(needle.upper()) it = reNeedle.finditer(AAs) # make an empty selection to which we add residues cmd.select(rSelName, 'None') for i in it: (start, stop) = i.span() # we found some residues, which chains are...