[PyMOL] PyMOL crashes when building a nanotube

2020-02-11 Thread Vyshnavi Karra
Hi,

I'm building a nanotube by adding some polymer side chains to a nanotube
that I already have (pdb files). I've been able to do about 1/2 of adding
the side chains but now when I open the pse file or the saved project as a
pdb to continue editing it, PyMOL crashes as soon as I open the builder
tool. I get a pop up before the builder tool is loaded saying: "Building
"Undo" is disabled for the following objects
nanotube
Enable "Undo" for these objects? No/Yes"

I've tried both options (working after clicking "No" and after "Yes") and
PyMOL still crashes.

Any suggestions as to how to fix this? I have a grant proposal deadline
coming up and this novel molecule is the subject of that proposal.

Sincerely,
Vy
*Vyshnavi Karra (she/her/hers) *
*Ph.D Student, Northeastern University *
*M. Sc. Chemical Engineering, Rutgers University (2017) *
*B. S. Chemical Engineering, Rutgers University (2016) *

*Email: karr...@husky.neu.edu  *
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Re: [PyMOL] How to compile pymol with --glut?

2020-02-11 Thread Thomas Holder
Hi Yeping,

This has been asked before (by you :-)), see here:

https://sourceforge.net/p/pymol/mailman/message/36766620/

Cheers,
  Thomas

> On Feb 8, 2020, at 2:12 PM, 孙业平 via PyMOL-users 
>  wrote:
> 
> Dear pymol users,
> 
> I compiled pymol following the guide at 
> https://pymolwiki.org/index.php/Linux_Install in my CentOS 8 system.
> When I tried to launch pymol by the "./pymol" command, I got the following 
> error:
> 
> Qt not available, using GLUT/Tk interface
> Traceback (most recent call last):
>   File 
> "/home/sunyp/software/Pymol/pymol-install/lib64/python/pymol/__init__.py", 
> line 65, in 
> pymol.launch(args)
>   File 
> "/home/sunyp/software/Pymol/pymol-install/lib64/python/pymol/__init__.py", 
> line 441, in launch
> _cmd.runpymol(_cmd._get_global_C_object(), block_input_hook)
> NotImplementedError: compile with --glut
> 
> I then removed the "bin" and the "lib64" directories in the 
> "pymol-open-source-build" directory and recompiled pymol with the following 
> command:
>python3 setup --glut install 
> --prefix=~/software/Pymol/pymol-open-source-build
> 
> However, the newly generated pymol binary file does not work either. Launch 
> pymol give the same "Qt not available, using GLUT/Tk interface" error.
> 
> Could you help me with this?Thank you in advance.
> 
> Best regards.
> 
> 
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--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.



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Re: [PyMOL] floating external gui

2020-02-11 Thread Thomas Holder
Hi Tamas,

It is currently not possible to start PyMOL with a floating external GUI. The 
most convenient way to get it floating is to double click the empty space of 
the panel which toggles visibility of its title bar, then drag that out. See 
attached screenshot.




Cheers,
  Thomas

> On Feb 8, 2020, at 10:56 AM, Tamas Hegedus  wrote:
> 
> Hi,
> 
> I am using a compiled version of pymol.
> I like the floating window.
> 
> The CNTR-E does not work to toggle floating, I have to use the mouse 
> (display, external gui, toggle floating).
> Is it possible to start pymol with floating external gui?
> 
> Thanks, Tamas
> 
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Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.

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Re: [PyMOL] Getting session file name

2020-02-11 Thread Thomas Holder
Hi Jason,

This should do it:

name = cmd.get('session_file')


Cheers,
  Thomas

> On Feb 8, 2020, at 5:21 AM, Junsu Park aka. Jason Mosier 
>  wrote:
> 
> Hello, this may be a very simple question that I just can't find the answer 
> to, but I was wondering how I would go about fetching the session name of the 
> .pse currently open? For example, I have two session files: colors and 
> overlays, and I want my code to print something specific for each colors... 
> and overlay... in a text file or whatever based on which one I have open
> 
> Cheers,
> Jason M.
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Schrödinger, Inc.



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