From: evangelos p. <eva...@db...> - 2005-10-18 17:30:06
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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 |