Dear Ioannis,
I was wondering about that, too. Given the prominence of hemoglobin
structure and oxygen binding in Biochemistry education, the 1 HHO structure
seems to be a bad biological structure to calculate incorrectly. I guess an
email to the PDB might be in order (if it is intentional, they could at least
explain it in that case).
Best Regards,
Jim
________________________________________
From: Ioannis Michalopoulos <imicha...@bioacademy.gr>
Sent: Monday, February 22, 2016 4:05 PM
To: Jame R.Ketudat-Cairns
Subject: Re: [PyMOL] PyMOL split_states error on [PDB: 1hho]
Dear Jim,
Thank you for your prompt answer which worked perfectly. I was writing a
tutorial for my students and I found many incorrectly calculated biological
units. I wonder if we should complain to PDB about it, or wait and see what
PyMOL can do about it, first.
Best Regards,
Ioannis
On Monday 22 of February 2016 02:09:05 you wrote:
> Dear Ioannis,
> The 1HHO biological unit seems to be calculated incorrectly (just spun
> around the y-axis 180 degrees). I found that the symexp command works for
> this: symexp sym, 1hho, (1hho), 1
> Best Regards,
> Jim
> ________________________________________
> From: Ioannis Michalopoulos <imicha...@bioacademy.gr>
> Sent: Monday, February 22, 2016 3:39 AM
> To: pymol-users@lists.sourceforge.net
> Subject: [PyMOL] PyMOL split_states error on [PDB: 1hho]
>
> Dear PyMOL users,
>
> I run PyMOL 1.8.0.0 for Windows.
>
> I loaded the biological assembly of 1HHO:
>
> http://www.rcsb.org/pdb/files/1HHO.pdb1.gz
>
> When I tried:
>
> split_states 1hho
>
> PyMOL failed to produce the proper tetramer that is seen at:
>
> http://www.rcsb.org/pdb/explore/jmol.do?structureId=1HHO&opt=3&bionumber=1
>
> Instead PyMOL shows a weird tetramer. Is it a bug? This approach works
> fine on other cases eg 1SVC. Is there any other way to do it?
>
> Thank you in advance.
>
> Best Regards,
>
> Ioannis
> --
> Dr Ioannis Michalopoulos
> Staff Research Scientist - Associate Professor Level
> Centre of Systems Biology
>
> Tel: +30 210 6597 127
> Fax: +30 210 6597 545
> Email: imicha...@bioacademy.gr
> _________________________________________________
> Biomedical Research Foundation, Academy of Athens
> Soranou tou Efessiou 4, 115 27 Athens, Greece
>
>
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--
Dr Ioannis Michalopoulos
Staff Research Scientist - Associate Professor Level
Centre of Systems Biology
Tel: +30 210 6597 127
Fax: +30 210 6597 545
Email: imicha...@bioacademy.gr
_________________________________________________
Biomedical Research Foundation, Academy of Athens
Soranou tou Efessiou 4, 115 27 Athens, Greece
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