Hi,
i am using openbabel ver.: 2.3.90 downloaded from openbabel git repository
(downloaded&compiled today) on my 64bit Debian 7 Wheezy system.
I got this difficulty, that i cannot convert pwscf formats used by quantum
espresso. When i tried to convert something this happend:
babel -ipwscf out -oxyz out.xyz
0 molecules converted
2 audit log messages
out.xyz is empty
but everything else works:
(example)
babel -ixyz molecule.xyz -oPOSCAR poscar
1 molecule converted
11 audit log messages
poscar is unempty!
Had anybody experienced this kind of problem?
Thanks!
------------------------------------------------------------------------------
Rapidly troubleshoot problems before they affect your business. Most IT
organizations don't have a clear picture of how application performance
affects their revenue. With AppDynamics, you get 100% visibility into your
Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro!
http://pubads.g.doubleclick.net/gampad/clk?id=84349831&iu=/4140/ostg.clktrk
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
