Re: [PyMOL] Unwanted bond formed in azetidine ring

2019-06-03 Thread Timofey Tyugashev
The bonds are initially generated based on proximity between the atoms in the structure. To remove the erroneously generated bonds use command Unbond: unbond atom1,atom2 04.06.2019 3:46, pymol-users-requ...@lists.sourceforge.net пишет: Message: 1 Date: Mon, 3 Jun 2019 16:15:33 -0400 From: Hao

Re: [PyMOL] Unwanted bond formed in azetidine ring

2019-06-03 Thread h. adam steinberg
Here is one way to do this: change your mouse mode from “viewing” to “editing”. left-click on the atoms at each end of the bond you wish to remove, each atom will highlight with a gray ball around it, In the command line type "unbond pkset” and hit the enter key, your bond will be removed. > On Ju

[PyMOL] Unwanted bond formed in azetidine ring

2019-06-03 Thread Hao Li
Dear users, I am working on a structure of a protein-ligand complex, and the ligand contains an azetidine group. Whenever I display this structure in pymol, an unwanted bond forms between 2 carbon atoms in the azetidine ring. The pdb file of this ligand was generated by Chem3D and the restraint c

[PyMOL] Regarding APBS tools in Pymol

2019-06-03 Thread Dilraj Lama
Dear Pymol users,     I am trying to generate the electrostatic potential surface for my protein using the APBS plugin in Pymol. I installed "ver 1.8.4.0" through the per-compiled binary using "apt-get" in Ubuntu 18.04.2 LTS". I am encountering the following error whi