Re: [PyMOL] PyMOL split_states error on [PDB: 1hho]

2016-02-23 Thread Thomas Holder
gt;>>> On Mon, Feb 22, 2016 at 10:19 AM, Jame R.Ketudat-Cairns >>>> >>>> wrote: >>>>> Dear Ioannis, >>>>> >>>>> I was wondering about that, too. Given the prominence of hemoglobin >>>>> >>>>&g

Re: [PyMOL] PyMOL split_states error on [PDB: 1hho]

2016-02-22 Thread Robert Hanson
Ioannis, I suggest using the CIF file from EBI instead: http://www.ebi.ac.uk/pdbe/static/entry/download/1hho-assembly-1.cif.gz It looks good to me -- just one model. For reference, the RCSB site is using Jmol and is simply loading 1HHO itself and constructing the assembly *in situ *using the sy

Re: [PyMOL] PyMOL split_states error on [PDB: 1hho]

2016-02-22 Thread Ioannis Michalopoulos
This approach does not seem to work. On Monday 22 of February 2016 05:53:14 Thomas Holder wrote: > Hi all, > > The bug seems to be that the "pdb_insure_orthogonal" setting is only applied > to the first model. Turning the setting off shows the correct assembly: > > set pdb_insure_orthogonal, off

Re: [PyMOL] PyMOL split_states error on [PDB: 1hho]

2016-02-22 Thread Thomas Holder
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

Re: [PyMOL] PyMOL split_states error on [PDB: 1hho]

2016-02-22 Thread Ioannis Michalopoulos
t; >> least explain it in that case). > >> > >> Best Regards, > >> > >> Jim > >> > >> > >> From: Ioannis Michalopoulos > >> Sent: Monday, February 22, 2016 4:05 PM

Re: [PyMOL] PyMOL split_states error on [PDB: 1hho]

2016-02-22 Thread Ezra Peisach
er (if it is intentional, they could at >> least explain it in that case). >> Best Regards, >> Jim >> ____________ >> From: Ioannis Michalopoulos >> Sent: Monday, February 22, 2016 4:05 PM >> To: Jame R.Ketudat-Cairns >> Subject: Re: [P

Re: [PyMOL] PyMOL split_states error on [PDB: 1hho]

2016-02-22 Thread Spencer Bliven
los > 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 incor

Re: [PyMOL] PyMOL split_states error on [PDB: 1hho]

2016-02-22 Thread Jame R . Ketudat-Cairns
, they could at least explain it in that case). Best Regards, Jim From: Ioannis Michalopoulos 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