> 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 ------------------------------------------------------------------------------ Simplify data backup and recovery for your virtual environment with vRanger. Installation's a snap, and flexible recovery options mean your data is safe, secure and there when you need it. Discover what all the cheering's about. Get your free trial download today. http://p.sf.net/sfu/quest-dev2dev2 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
