[cctbxbb] cctbx and symmetry: source code

[Graeme.Winter at diamond.ac.uk]

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: cctbxbb-bounces at phenix-online.org [mailto:cctbxbb-bounces at phenix-online.org] 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 <luc_j_bourhis at mac.com<mailto:luc_j_bourhis at mac.com>> wrote:

On 19 Mar 2013, at 11:09, prasun kumar wrote:

> [...]
>
> 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?

Best wishes,

Luc

_______________________________________________
cctbxbb mailing list
cctbxbb at phenix-online.org<mailto:cctbxbb at phenix-online.org>
http://phenix-online.org/mailman/listinfo/cctbxbb




-- 

This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail.

Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. 

Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message.

Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

 







-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/cctbxbb/attachments/20130319/a3fa45dd/attachment.htm>