Re: [rDock-list-def] mol2 format

[Peter S. <pet...@gm...>]

Hey Markus,

any chance you can share the faulty mol2 files?
I personally use open babel to do that.

++

Peter

> On 21 Sep 2019, at 01:00, Markus Metz <me...@gm...> wrote:
> 
> Hello all:
> I am trying to convert my protein to mol2 format and I have tried the following:
> a) converted via maestro 
> b) used openbabel
> c) used chimera  
> d) visually tried to pinpoint where my mol2 file differs from tutorial examples.
> 
> In every case I failed to run the rbcavity command.
> The best error message I am getting is
> 'Corrupted MOL2 file: not enough fields in SUBSTRUCTURE'.
> 
> I can find no difference between the tutorial example and the mol2 file created.
> Of course rbcavity works with the tutorial files.
> 
> How are you performing the mol2 conversion?
> Kindly let me know,
> Markus 
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