Re: [Open Babel] Orca file coordiniates are different from Chemcraft

2017-02-13 Thread Koosha
Here is the .out file. http://www.filedropper.com/1ta3-1scanconoformationm2 -- View this message in context: http://forums.openbabel.org/Orca-file-coordiniates-are-different-from-Chemcraft-tp4659710p4659725.html Sent from the General

[Open Babel] Orca file coordiniates are different from Chemcraft

2017-02-09 Thread Koosha
Hi there. I've a orca .out file. If I open it in Chemcraft, the coordinates of first atom is -0.008, -0.011, 0.953. But when I open the same file in Open Babel and convert it to xyz the coordinates of the same atom is 0.00771, 0.00999, 3.67056. Why their coordinates are different? which one is