Dominique Massiot
Cc : Miguel Quirós Olozábal ,
Objet : Re: [Open Babel] Converting CIF to XYZ - various errors commandline
or program call
The Windows error message are because your BABEL_DATADIR is not set
correctly for OB2.3.1. The installer should have done it. Try "echo
%BABEL_DATADIR%"
gt;
>
> De : Miguel Quirós Olozábal
> Date : lundi 25 juin 2012 13:22
> À : Dominique Massiot
> Cc :
> Objet : Re: [Open Babel] Converting CIF to XYZ - various errors commandline
> or program call
>
> El lun, 25-06-2012 a las 10:42 +0200, Dominique Massiot escribió:
&
mailto:dominique.mass...@cnrs-orleans.fr>
-
De : Miguel Quirós Olozábal
Date : lundi 25 juin 2012 13:22
À : Dominique Massiot
Cc :
Objet : Re: [Open Babel] Converting CIF to XYZ - various errors commandline
or program call
El lun, 25-06-2012 a las 10:42 +0200, Dominique Massiot escr
Bonjour,
As already said, the "_data" statement is missing at the beginning -
if you add "data_I" on the first line before the "_audit..." line it is
read correctly by babel (1 warning).
Le 25/06/2012 10:42, Dominique Massiot a écrit :
>
> ==
> *** Open
El lun, 25-06-2012 a las 10:42 +0200, Dominique Massiot escribió:
> I am using Open Babel 2.3.1 on OsX and Windows and have various errors
> converting a cif file CIF to XYZ.
>
>
> Convert is done properly on OsX command line but fails in Windows
> commandline or program call OsX
>
>
> Advices
I am using Open Babel 2.3.1 on OsX and Windows and have various errors
converting a cif file CIF to XYZ.
Convert is done properly on OsX command line but fails in Windows
commandline or program call OsX
Advices or comments are welcome
Thanks in advance
-
Command line : obabel
