[Chimera-users] FW: Input from Avogadro, solvation.

[Eric Pettersen]

This particular bug was fixed on the 19th — if you get the current daily build you won’t get this “coercing to Unicode” error.

—Eric

	Eric Pettersen
	UCSF Computer Graphics Lab


> On May 20, 2017, at 3:20 PM, P. Buscemi <busce004 at umn.edu> wrote:
> 
> Dear Chimera,
>  
> This is the other common error which strangely appears to occur on my PC much more frequently than on my iMac – using the same mol2 file
> <image001.png>
>  
>  
>  
> From: Paul Buscemi [mailto:busce004 at umn.edu] 
> Sent: Saturday, May 20, 2017 5:02 PM
> To: chimera-users at cgl.ucsf.edu BB
> Subject: Input from Avogadro, solvation.
>  
>  
>  
> Dear Chimera,
>  
> Three basic questions:
>  
> I’m using Avogadro to construct my models and import as mol2 or pdb types. I often obtain messages as
>  
> <PastedGraphic-1.png>
>  
> or  that the atom is not “listed” .  
>  
> Is there a preparation I can use for transfer of models ? Alternatively do  you suggest any other program to construct models ?
>  
> 2) If I use Tools to solvate a model,  should I use the “Start solvate tool” under MD and/or check “Periodic Boundary Conditions.
>  
>  
> 3) Im considering building a multicore system  ( two 16 core Xeon’s)  as a 64 bit system would Chimera take advantage of the multi-core system ?
> Would the upgrade funds be better spent on memory ?
>  
> Regards,
>  
> Paul Buscemi,
> UMN BICB
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