subject:"\[Open Babel\] Compare 3D strucuture of molecules\?"

Re: [Open Babel] Compare 3D strucuture of molecules?

2012-10-04 Thread Андрей Гончар

Hi, I'm trying to execute your command, byt this is what I got: == *** Open Babel Error in GetValues rmsd not recognized as a property or a descriptor 2012/10/4 Fredrik Wallner fred...@wallner.nu: Hi, You can get the RMSD between two conformers through the

Re: [Open Babel] Compare 3D strucuture of molecules?

2012-10-04 Thread Андрей Гончар

Open Babel 2.3.90 -- Mar 19 2012 2012/10/4 Fredrik Wallner fred...@wallner.nu: Hi, What version of Open Babel are you using? Kind regards, Fredrik 4 okt 2012 kl. 12:32 skrev Андрей Гончар gontc...@gmail.com: Hi, I'm trying to execute your command, byt this is what I got: