Hi Geoff, Thanks for the reply. Looks like I'm using a slightly older version (obtained via the Ubuntu 10.10 repositories).
babel -v No output file or format spec! Open Babel 2.2.3 -- Mar 7 2010 -- 03:47:42 Usage: babel [-i<input-type>] <name> [-o<output-type>] <name> Try -H option for more information. I downloaded the 2.3.0 version from the website and compiled it. I tried converting a PWSCF file and it looks like it worked successfully. On the other hand, a test POSCAR file did not work. I'll send you an email with it in a second. Best, Brad On Fri, Jun 3, 2011 at 8:52 AM, Geoffrey Hutchison <ge...@geoffhutchison.net > wrote: > > and then the structure.pdb file is completely empty. The same thing > happens with Quantum Espresso files, although that's less unexpected since > running babel -H doesn't list Quantum Espresso as a suitable format (even > though the website claims the code can read these files). > > What version of Babel are you using? > > babel -v > No output file or format spec! > Open Babel 2.3.0 -- Apr 21 2011 -- 12:24:58 > Usage: babel [-i<input-type>] <name> [-o<output-type>] <name> > Try -H option for more information. > > If you don't see PWSCF, you're probably using an old version. But it's also > possible that our support for these formats is incomplete. Since I'm trying > to finish up the 2.3.1 release, I'd appreciate any test files for PWSCF or > VASP that you could send me. > > Thanks, > -Geoff
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