[PyMOL] dialogs in pyMOL

2011-01-24 Thread rv...@libero.it
Hi to all, I need to open a message box dialog inside a pyMOL plug-in. When I try the code: import tkMessageBox tkMessageBox.showinfo(‘title’, ‘msg’) pyMOL crashes (the window doesn’t appear and pyMOL blocks). I am just entering pyMOL and python. I never used Tkinter before. Could anyone help

[PyMOL] highlighting a selection

2011-02-04 Thread rv...@libero.it
Hello everyone, when I make a selection by code: cmd.select(..) the selection is not really shown. Pushing the button (sele) in the GUI panel red-white small squares highlight the selection. Is it possible to achieve the same result by code? Please another question. Is there a good handbook a

[PyMOL] R: Re: highlighting a selection

2011-02-05 Thread rv...@libero.it
Thank you Paulfor the link. Very useful. Roberto Messaggio originale Da: paul.ri...@uci.edu Data: 05/02/2011 2.34 A: "rv...@libero.it" Cc: Ogg: Re: [PyMOL] highlighting a selection Have you checked out the wiki? http://www.pymolwiki.org/index.php/Main_Page Cheers,Pau

[PyMOL] R: Re: highlighting a selection

2011-02-05 Thread rv...@libero.it
Hi Jason, thank you. I didn't know all the options of the select command. I am just entering both python and pyMOL. Thank you. Roberto >Messaggio originale >Da: jason.vertr...@schrodinger.com >Data: 05/02/2011 6.52 >A: "rv...@libero.it" >Cc: >Ogg: Re:

[PyMOL] subsequent animated zooms

2011-02-14 Thread rv...@libero.it
Hello everyone, when I execute by script: cmd.zoom('sele1', animate=1) cmd.zoom('sele2', animate=1) only last animated zoom is performed. (at least so looks) Could anyone please tell me if there is a way to force the second animation to be started only after the first one ended? Thank you R

[PyMOL] R: Re: subsequent animated zooms

2011-02-15 Thread rv...@libero.it
Hi Thomas, thank you for your suggestion. I didn't tell in my post but I need to zoom interactively: the function: def scan(): .. # find next interesting site of the model cmd.zoom(site, animate=1) cmd.extend('scan', scan) works fine but this way the user is always so near inter

[PyMOL] labeling by a pseudoatom

2011-02-25 Thread rv...@libero.it
Hello everyone, trying to use a pseudoatom as label I met several problems: 1) How to move the label (pseudoatom) to a target residue? Is there a simple command to do? 2) How to change the label without messaging the user? The 'label' command appears not have a 'quiet' option. 3

[PyMOL] R: RE: labeling by a pseudoatom

2011-02-27 Thread rv...@libero.it
t;interactive >or scripted mode? >For scripted mode you could modify the coordinates of the pseudoatom to >be closer to the target atom or not? Otherwise look up the commands in >"Edit" mode. BTW in Edit mode you can actually mode regular labels with >the mouse as well (Edit M

[PyMOL] R: Re: labeling by a pseudoatom

2011-02-28 Thread rv...@libero.it
't suppor If I set a quite=1 option in alter_state label I get errors. .. but probably you already know. >Messaggio originale >Da: jason.vertr...@schrodinger.com >Data: 28/02/2011 6.36 >A: "rv...@libero.it" >Cc: >Ogg: Re: [PyMOL] labeling by a pseudoato

[PyMOL] R: Re: Re: labeling by a pseudoatom

2011-03-02 Thread rv...@libero.it
et' option and appears not being the same than 'cmd.label ..' This was strange to me and (hoping I didn't make a mistake in the script) I was curious to know the raison of this behaviour if simple to tell. If not, please don't care: I solved (thanks to you) my probl

[PyMOL] plugin dependencies

2011-03-09 Thread rv...@libero.it
Hello everyone, my plugin needs Biopython. I wish check the Biopython installation by try: from Bio import AlignIO # or similar except ImportError: .. prompt the user with a msg .. The problem is: what the msg to the user? Downloading and installing Biopython is

[PyMOL] R: Re: plugin dependencies

2011-03-10 Thread rv...@libero.it
>still fail to work in PyMOL even if the user has installed the package >using the external python and edited the PYTHONPATH. > > >So, how about ship all the BioPython packages you need in your python >code together with your plugin? Of course all dependencies should be >in

[PyMOL] R: Re: plugin dependencies

2011-03-10 Thread rv...@libero.it
;Messaggio originale >Da: jason.vertr...@schrodinger.com >Data: 10/03/2011 21.07 >A: "rv...@libero.it" >Cc: >Ogg: Re: [PyMOL] plugin dependencies > >Hi Roberto, > >This has always been a stumbling block for PyMOL. Either you compile >from source and add any modules

[PyMOL] R: Re: R: Re: plugin dependencies

2011-03-10 Thread rv...@libero.it
aggio originale Da: mgler...@gmail.com Data: 11/03/2011 4.05 A: "rv...@libero.it" Cc: , Ogg: Re: [PyMOL] R: Re: plugin dependencies I really like the fact that Jason will be including more libraries with PyMOL in the future. I once needed to distribute a library that depended o