Re: [PyMOL] Question on geometry option in replace command

2025-02-07 Thread Norbert Straeter
Dear Lei, the best way to build a new molecule is via the builder in the GUI. The commands "replace" or "attach" are not well documented. I could reproduce your problem and I think PyMOL runs some kind of check routine after you issue a replace or attach command and it will reset the atomic

[PyMOL] Question on geometry option in replace command

2025-02-06 Thread Lei Qian
Dear users, Could I ask a question on geometry option in replace command? I tried to use Build/Fragment/XXX to replace an atom to a new one, and pymol GUI shows the corresponding replace command. However, I found the geometry option always equals to 4. For example, PyMOL>replace O, 4, 2 PyMOL>repl