That was just a proof of concept piece of code. I wanted to process some
molecules and try to leave them intact. Thanks for information.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2012/11/8 Geoffrey Hutchison geo...@pitt.edu
Is pybel suppose to support 'copy'
On 8 November 2012 22:40, Casper Steinmann casper.steinm...@gmail.com wrote:
Hi,
The Open Babel API states that the QEq and QTPIE charge models are supported
if Eigen is present.
When compiling 2.3.1 with -DPYTHON_BINDINGS=ON and the cmake step tells me
it has found Eigen2.
if I request
Can you be a bit more specific? Are you trying to use the command-line
interface? If so, what version of Open Babel are you using? Older versions will
only save one conformer.
Thanks very much,
-Geoff
On Nov 5, 2012, at 9:01 AM, Ioanna Kalvari wrote:
Hello,
I am trying to generate
