Warren,
Thank you for the prompt answer. Defining the function/script as you
said in a way that I pass arguments through the calling command should
work. Although there could be other nicer ways.
I intend to use it in order to input a filename with constrain data that
the user wants to open. I work with NMR structures and I have writen a
Pymol script that can take the NMR constrains and display them atop the
NMR structure or ensemble. You can see an example in this snapshot:
http://www.biophys.su.se/~evangelo/mDpl/cnstr3.gif
It can work for CNS format or Cyana/Dyana upl. I inted to share it
either from this email list or deposit it in pymol wiki. I have a
slightly working version already but the user has to correct the
filename from within the script file which is rather clumpsy.
I would like to point out also to this script from Pymol wiki:
http://www.pymolwiki.org/index.php/Key_Wait
It is suposed to call a raw_input() from pymol and even get an input.
But I never made it work and had some errors like:
PyMOL>spawn spawn_demo.py, local
Exception in thread Thread-5:
Traceback (most recent call last):
File "E:\Program Files\DeLano Scientific\PyMOL\py23\lib\threading.py",
line 436, in __bootstrap
self.run()
File "E:\Program Files\DeLano Scientific\PyMOL\py23\lib\threading.py",
line 416, in run
self.__target(*self.__args, **self.__kwargs)
File "spawn_demo.py", line 2
within pymol
^
SyntaxError: invalid syntax
How should this key_wait script be used?
Thanks again for the help. Are there any further beter suggestions? I
am comming soon hopefully back on it with the script
./Evangelos
