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CMake error

Luis Fernando Cofas Vargas
Hi, I got the following error.

Thank you in advance.

Best regards.

Fernando

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Re: CMake error

Fredrik Wallner
Hi,

It looks like your wxWidgets installation i either faulty or of the wrong version since cmake complains that
"wxWidgets wx/version.h file not found in /opt/xtal/ccp4-7.0-linux64/lib/wx/include/gtk2-unicode-3.0;/opt/xtal/ccp4-7.0-linux64/include/wx-3.0"

Kind regards,
Fredrik

> 5 nov. 2016 kl. 03:49 skrev Luis Fernando Cofas Vargas <[hidden email]>:
>
> Hi, I got the following error.
>
> Thank you in advance.
>
> Best regards.
>
> Fernando
> <cmake.out><make.out>------------------------------------------------------------------------------
> Developer Access Program for Intel Xeon Phi Processors
> Access to Intel Xeon Phi processor-based developer platforms.
> With one year of Intel Parallel Studio XE.
> Training and support from Colfax.
> Order your platform today. http://sdm.link/xeonphi_______________________________________________
> OpenBabel-discuss mailing list
> [hidden email]
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss


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Training and support from Colfax.
Order your platform today. http://sdm.link/xeonphi
_______________________________________________
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conformational sampling of ring puckering

Eiso AB-2
In reply to this post by Luis Fernando Cofas Vargas
Hi,

I have trouble getting ring-puckering sampled in a
conformational search

obabel ./ligand.mol2 -O qq.pdb --confab --conf 1000000

There's a 6-ring  (  C1=Ccccc1 ) in there which should
have 2 possible puckerings but I'm getting only one.

Any tips? Increasing the energy (--ecutoff ) didn't help

thanks,
E

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Developer Access Program for Intel Xeon Phi Processors
Access to Intel Xeon Phi processor-based developer platforms.
With one year of Intel Parallel Studio XE.
Training and support from Colfax.
Order your platform today. http://sdm.link/xeonphi
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