[Chimera-users] issue with heme minimization

[Rio Aquarius]

Thank you for your kind reply. Could you help me a little more? Where must
the heme.defattr file be, when I use the 'defattr' command? I have tried to
put it in the root directory, but it didn't work and I got such a message:
[image: изображение.png]

I have also tried to open this file using the tool 'Define Attribute' in
Tools/Structure Analysis/, but got such a message:
[image: изображение.png]


пн, 14 сент. 2020 г. в 19:07, Elaine Meng <meng at cgl.ucsf.edu>:

> The heme.defattr file is a link from the URL you already found:
>
> > https://www.cgl.ucsf.edu/pipermail/chimera-users/2019-July/015972.html
>
> In the lower part of that page, the link to the defattr file is
>
> URL: <
> http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20190715/ecb1dce6/attachment.obj
> >
>
> ...and you just need to click that and then save it as a plain text file.
> You can rename that plain text file heme.defattr if you want.
>
> I hope this helps,
> Elaine
> -----
> Elaine C. Meng, Ph.D.
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
>
> > On Sep 12, 2020, at 9:53 AM, Rio Aquarius <rioxel at gmail.com> wrote:
> >
> > Hi,
> > I have an issue with heme minimization, Fe atom leaves a heme plane. I
> saw at least one user had the same issue and got help to solve it (
> https://www.cgl.ucsf.edu/pipermail/chimera-users/2019-July/015972.html).
> I could try the protocol described there, but I don't have the heme.defattr
> file. I hope you can help me with it too. I have attached a pdb file with
> this issue.
> > <CYP51_min300.pdb>
>
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