[Chimera-users] Is there an option to open pdbqt as PDB format smoothly?

[Eric Pettersen]

Hi Qiancheng,
	You would need to modify <your Chimera installation>/share/chimera/__init__.py.  On line 1436, change:

                        _openPDBModel, (".pdb", ".pdb1", ".ent", ".pqr"), ("pdb",),

to:

                        _openPDBModel, (".pdb", ".pdb1", ".ent", ".pqr", ".pdbqt"), ("pdb",),

keeping the indentation the same.  On a Mac, <your Chimera installation> is Chimera.app/Contents/Resources.

--Eric

	Eric Pettersen
	UCSF Computer Graphics Lab


> On Dec 23, 2022, at 5:20 AM, 夏前程 via Chimera-users <chimera-users at cgl.ucsf.edu> wrote:
> 
> Hi Chimera team,
> 
> I'm wondering if there is any chance that I can open a .pdbqt file smoothly (just like open a .pdb file ) through some strategies (for example, maybe modifying some source codes?).
> 
> Since AutoDock (and vina) always gives a .pdbqt format file but not .pdb format, however the content of which is somewhat like pdb and we always want to open it in pdb format.
> 
> This is not an important issue. But if so, the experience will be much better at least for me (Now, I have to choose the PDB format or rename the file suffix into .pdb).
> 
> 
> 
> With Regards
> 
> Qiancheng Xia
> 
> 2022/12/23
> 
> 
> 
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