Re: [Open Babel] vibrational info missing from g03 file

2013-06-11 Thread Mathias Laurin
Dear Chris, >> It seems that I am missing the vibrational data from Gaussian g03 files >> now, although it was present under Open Babel 2.3.0. > > I could not find the files in the OrbiMol database and have used files > from the NIST site referenced below. > > On Windows 7 and with versions 2.3

Re: [Open Babel] vibrational info missing from g03 file

2013-05-27 Thread Mathias Laurin
Dear Chris, >> It seems that I am missing the vibrational data from Gaussian g03 files >> now, although it was present under Open Babel 2.3.0. > > I could not find the files in the OrbiMol database and have used files > from the NIST site referenced below. > > On Windows 7 and with versions 2.3

Re: [Open Babel] vibrational info missing from g03 file

2013-05-25 Thread Chris Morley
On 23/05/2013 17:18, Mathias Laurin wrote: > Dear all, > > > I have compiled Open Babel rev 5063 with Python bindings and no GUI on > Windows XP under MSYS/MinGW. > > > It seems that I am missing the vibrational data from Gaussian g03 files > now, although it was present under Open Babel 2.3.0. > >

[Open Babel] vibrational info missing from g03 file

2013-05-25 Thread Mathias Laurin
Dear all, I have compiled Open Babel rev 5063 with Python bindings and no GUI on Windows XP under MSYS/MinGW. It seems that I am missing the vibrational data from Gaussian g03 files now, although it was present under Open Babel 2.3.0. I am using input files from the OrbiMol database http://www

[Open Babel] vibrational info missing from g03 file

2013-05-24 Thread Mathias Laurin
Dear all, I have compiled Open Babel rev 5063 with Python bindings and no GUI on Windows XP under MSYS/MinGW. It seems that I am missing the vibrational data from Gaussian g03 files now, although it was present under Open Babel 2.3.0. I am using input files from the OrbiMol database http://www