Hello there,
I think your problem is perhaps much easier than you think if you are already making system calls: you could just use cctbx Python code to do what you want, and then call
system("cctbx.python cell_whatever.py")
to do what you want: to the Perl program this is no different to writing a compiled application. Provided of course you have cctbx installed and have the setup file sourced.
Personally I find the Python interface to cctbx rather easier to use than the C++, but that is probably mostly familiarity.
Best wishes,
Graeme
From: [email protected] [mailto:[email protected]] On Behalf Of prasun kumar
Sent: 19 March 2013 15:13
To: cctbx mailing list
Subject: Re: [cctbxbb] cctbx and symmetry: source code
Dear Luc
I think I have confused you by not mentioning in the very first mail.
My main program is in PERL and I am calling OPENBABEL by installing it on my PC and using the system command on UNIX. e.g. system("babel -i pdb input file -o cif output file");
Same thing I wanted for cctbx. Since it does alot of other things along with unitcell generation, I wanted to have the relevant part of cctbx.
I wanted to make binary of that part, so that I can call it from the main program.
Thanx alot
Prasun Kumar
PRASUN (ASHOKA)
Desire + stability = Resolution
Resolution + Hard work = Success
On Tue, Mar 19, 2013 at 8:12 PM, Luc Bourhis
[...]
Is it possible for me. I am asking this question because I am completely new to the python. In PERL, you can make executable (lets say on any unix OS 64 bit comp) and it will work on any 64 bit computer with any type or version of LINUX/UNIX.
I was more interested in the binary form, so that I can directly call it from my main program. Just to make sure we are on the same page, I have got two questions. Is your main program written in C? If so, were you embedding a Perl interpreter in that program, so as to have access to OpenBabel?
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