[gmx-users] Insane.py problem

[João Henriques]

Dear Carlos,

It's actually the other way around, it's trying to convert a string into a
float. I am absolutely not familiar with the code or the procedure, but
form a programming perspective, this is likely due to some input you're
providing that is not convertible to a float. For example, if you provide:
'ABC123' as an argument to be internally converted to a float, it will fail
and raise an error such as yours.

Maybe one of your inputs is required to be a 'number' and it's not.

This as how far as I can go, being unfamiliar with Insane.py.

Best regards,
João

On Wed, May 13, 2015 at 12:03 PM, Carlos Navarro Retamal <cnavarro at utalca.cl
> wrote:

> Dear gmx users,
> I’m trying to create a thylakoid membrane (from cyanobacteria) with the
> following lipid composition:
> 18:1-16:0 PG 5.557%
> 16:1-16:0 PG 0.543%
> 18:1-16:0 DGDG 25.600%
> 18:1-16:0 MGDG 43.500%
> 18:1-16:0 SQDG 24.774%
> 16:0-16:0 SQDG 0.026%
> To do that, i’m using insane.py, by the following command line:
>
> ./insane.py -f PSII-CG.pdb -pbc square -box 20, 20, 10 -l CPG:0.5557 -l
> PPG:0.0543 -l CDGDG:2.56 -l CMGDG:4.35 -l CSQDB:2.4774 -l CSQDG:0.0026 -sol
> W -o system.gro
> But i’m getting the next error message:
> Traceback (most recent call last):
>   File "./insane.py", line 559, in <module>
>     options[ar].setvalue([args.pop(0) for i in range(options[ar].num)])
>   File "./insane.py", line 441, in setvalue
>     self.value = self.func(v[0])
>   File "./insane.py", line 302, in readBox
>     x = [ float(i) for i in a.split(",") ] + 6*[0]
> ValueError: could not convert string to float:
>
> Is this because i’m using float numbers to describe the specific amount of
> lipids?
>
> If this is the case,  can someone suggest me an approach to overcome this
> issue?
>
> Thanks in advance,
>
> Carlos
>
> --
> Carlos Navarro Retamal
> Bioinformatics Engineering
> Ph. D (c) Applied Sciences.
> Center of Bioinformatics and Molecular Simulations. CBSM
> University of Talca
> Av. Lircay S/N, Talca, Chile
> T: (+56) 712201 798
> E: carlos.navarro87 at gmail.com or cnavarro at utalca.cl
>
> --
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