[buster-discuss] PDB Validate doesn't like mmCif file from Buster

Kikuti Carlos Carlos.Kikuti at curie.fr
Wed Dec 4 13:20:17 CET 2024


Hello !

Marcin, I’ve just sent it to your e-mail, thank you.

If you or anybody else has ideas concerning the second part: “To ask if you have other suggestions of routines, other than uploading to Validate for this kind of pre-submission test? We use the validation tools in Coot and Molprobity, but for some reason the criteria and the calculated maps are not exactly the same as for the PDB… It would be much easier to have this validation running locally, just to avoid the uploading interface.”
… I’m all ears.

Best,

---------------------------------------------------
Carlos KIKUTI, PhD
UMR144 - CNRS - Institut Curie
Pavillon Trouillet Rossignol
26 Rue d’Ulm - 75005 Paris, France
carlos.kikuti at curie.fr<mailto:carlos.kikuti at curie.fr>

Message: 2
Date: Tue, 3 Dec 2024 17:57:58 +0100
From: Marcin Wojdyr <wojdyr at gmail.com>
To: Kikuti Carlos <Carlos.Kikuti at curie.fr>
Cc: "buster-discuss at globalphasing.com"
        <buster-discuss at globalphasing.com>, Glaser Camille
        <camille.glaser at curie.fr>
Subject: Re: [buster-discuss] PDB Validate doesn't like mmCif file
        from    Buster
Message-ID:
        <CACaHzQXvKWhbkFHYUvz4ZFqBnwhABALrovAKWTawK8+dWs4K-A at mail.gmail.com>
Content-Type: text/plain; charset="UTF-8"

Hello Carlos,

Thanks for reporting this problem. I don't know what went wrong here.
It'd be good to track it down, but I'm not able to reproduce it.

How did you discuss it with the PDB people? If by email, could you
forward it to me?

Thanks,
Marcin
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