[ccp4bb] Postdoctoral fellow position available

[Chengmin Qian]

Applicationsare invited for appointment as a postdoctoral fellow in the School 
ofBiomedical Sciences, the University of Hong Kong, to commence as soon 
aspossible for threeyears.

Applicantsshould have a Ph.D. degree preferably in chromatin biology. Practical 
experience inmolecular and cell biology, protein expression, purification 
andcharacterization are essential. Applicants should be well-organized, 
self-motivated andable to work independently as well as in a team. They should 
also have a good command of bothwritten and spoken English. Ahighly competitive 
salary commensurate with qualifications and experience willbe offered, in 
addition to annual leave and medical benefits. Applicants shouldsend a 
completed application form(http://www.hku.hk/apptunit/form-ext.doc) together 
with an up-to-date C.V. to cmq...@hku.hk. 

Re: [ccp4bb] AW: [ccp4bb] Small molecule not refined in coot.

[Paul Emsley]

On 12/03/18 14:05, M T wrote:
> Dear all,
>
> I restart this topic because the problem was finally not solved...

You give me an opportunity to comment, I had previously missed the boat
while traveling.

>
> Summary:
> - I am working on a structure with an unnatural ligand and I want to
> refine this ligand using Coot.

Sounds like a fine plan.

> - Each time I try to import the .cif of my ligand produced by PRODRG
> web server or through CCP4/ProDrg, coot crashes with error message
> below (see quoted messages).

The first thing to do, when Coot crashes is to check for a new revision.
There's a good chance that the problem has been fixed and is just
waiting for you to download it.

> - I sent my files to someone else and they are working on his computer
> (both are Mac and are using CCP4/Coot on same SBGRID server, with same
> files, and macOS was different).
> - I saw that my macOS was outdated (Starting SBGRID saying "- MacOS X
> versions 10.10 (Yosemite) and earlier are no longer officially
> supported").
> - I did an update of my macOS to High Sierra (10.13.3).
> - I retried with same files, Coot crashed.

For the record, the crash log would be highly helpful.

> - I went back to PRODRG server to generate a simple .cif
> (CH3-CH2-CH2-CH3).

Fine as it was in its day, PRODRG is no longer what we use for ligands. 
We use Acedrg.  If you want to use SMILES, you can use it on the command
line (that's what I do). If you want to use it from a sketch, use the
Ligand Builder in Coot. You can also use pyrogen (I do).

> - I started Coot, opened the .cif file using "Import CIF
> dictionary...", Coot crashed.
>
> It seems that opening any .cif file on my computer causes Coot crash.

Edit -> Preferences -> File Selector -> Modern File Chooser

For the record (again) this is the site that I use to download Coot mac
binaries:

http://scottlab.ucsc.edu/xtal/wiki/index.php/Stand-Alone_Coot

>
>
> Anybody has an idea to solve the problem?

It was discussed on the mailing list in January and fixed by the next day.

https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1801=COOT===5852

Regards,

Paul.

[ccp4bb] PhD positions in "Structural Molecular Biology" at IISER Thiruvananthapuram.

[Natesh Ramanathan]

Applications are invited from highly motivated students for admission to
the PhD programme  in the Structural Molecular Biology
  lab of Dr. Ramanathan Natesh in
the area of   Infectious Disease  (*Mycobacterium tuberculosis*  and
*Plasmodium
falciparum)   and DNA Damage Repair,  *
Under the Ph.D. Programme of Indian Institute of Science Education and
Research Thiruvananthapuram (IISER-TVM), India, starting August 2018.

For eligibility and how to apply go to :
http://www.iisertvm.ac.in/pages/phd_admissions.phpx *

Last date of receipt of the application form: 30th April 2018

The successful applicant will clone, express and purify proteins and
protein complexes for characterisation using single particle cryo-electron
microscopy and protein crystallography along with range of other
biophysical (DLS, MALS, CD, Fluorescence etc.), biochemical and molecular
biology techniques.  We are looking for candidates with strong interest in
structural biochemistry.  Ideally, these candidates will have prior expertise
in protein expression and purification.  Prior knowledge of cryo electron
microscopy and / or protein crystallography or biophysical methods is a
plus.

We have excellent facilities for doing Molecular Biology, Biochemistry,
Protein Crystallography and Single Particle cryoEM  : See
http://faculty.iisertvm.ac.in/natesh/index.php/sample-page/

Note that students who have qualification in one of the national level
tests, listed at the above application link* are eligible to apply online.
  If you are not eligible and not residing in India and you are still
interested in our Structural  Molecular Biology PhD programme, please get
in touch with me by e-mail at “nates...@hotmail.com”  to informally discuss
about your research plans in our lab.

Best regards,
Natesh
-- 
--
"Live Simply and do Serious Things .. "
- Dorothy Mary Crowfoot Hodgkin OM, FRS

"In Science truth always wins"
- Max Ferdinand Perutz OM FRS
--
Dr. Ramanathan Natesh
Assistant Professor, School of Biology,
Indian Institute of Science Education and Research Thiruvananthapuram
(IISER-TVM),
Maruthamala PO, Vithura,
Thiruvananthapuram - 695551, Kerala, India.
nat...@iisertvm.ac.in
http://www.researcherid.com/rid/C-4488-2008
http://faculty.iisertvm.ac.in/natesh/
Ph. 0091- 471 - 2599403
Alternate Ph. 0091- 471-2778087
Fax.0091- 471 - 2597427

Re: [ccp4bb] Strange Diffraction pattern! Protein/DNA complex or DNA alone crystal?

[Daniel M. Himmel, Ph. D.]

The diffraction patterns clearly show an overlap of two or more

lattices, which either means you didn’t have a single crystal at the

start or it was damaged during the flash-cooling process.  PEG 400

is generally a good cryoprotectant at ≥20%, but I would recommend using

at least 25% to be certain no ice formation damages the crystal lattice.


The high mosaicity makes interpretation of the diffraction pattern open to

debate.  Some of the reflections look like they could originate from
protein,

since they indicate long distance repeats.  Some double-spots suggest a
cracked

crystal with high mosaicity.  It’s a difficult call for me, but I think the
layer

lines look roughly like an hour glass shape, which is characteristically

seen in DNA patterns and arises from the double-helical structure.

Again, the layer lines suggest at least 2 or 3 lattices.  To pin down

whether you’re really looking at double-helical DNA, you need to

measure the real space distance suggested from layer lines (measure

the equiv. resolution from the reciprocal space origin).  I don’t have

time to look it up now, but there should be tell-tale layer line repeats

(if I recall correctly) at about 10 A and 34 A.  You can look for some

old papers by Francis Crick on helical theory (sorry I don’t have

the reference at my fingertips).  In summary, I would cautiously

surmise that you have a protein (small round spot reflections), bound

by DNA that is much more mobile (highly mosaic layer lines), and that

both the protein and DNA exist in multiple (probably three) lattices, but,

again, the distance repeats of the layer lines have to be measured to

see if they are consistent with double-helical DNA.


Try to get crystals that diffract better for more clarity.  Flash cool in

25% PEG 400 (or try combination of PEG 400 and PEG 200), or

vary the MPD concentration.  Good luck.


I hope this helps.


-Daniel



[image:
RnNZfQn2o2xpggJQqefCOervMbPIci5mujDPJnvl43kv6Rtxjyh5gHN_JKVzeU-aaGz3pePFgxfoAAtZJZNx8mveVTc-11j98EfuAJVcumUenA=s0-d-e1-ft.gif]Daniel
M. Himmel, Ph. D.

URL:  http://www.DanielMHimmel.com 


On Mon, Mar 12, 2018 at 11:24 AM, Joseph Ho  wrote:

> Dear Xiao and Hans:
>
> Thanks for your reply. We tried to index it but failed.
>
> Joseph
> On Mon, Mar 12, 2018 at 11:15 PM, Xiao Lei  wrote:
> > did you try to index it?  the cell dimensions may give you hint.
> >
> > On Mon, Mar 12, 2018 at 4:40 AM, Joseph Ho 
> wrote:
> >>
> >> Dear all:
> >>
> >>
> >> I would like to seek your wisdom on our latest diffraction pattern. We
> >> have been working on protein/DNA complex. The protein and DNA have
> >> similar MW. By binding assay, we know the minimal length of DNA. (The
> >> Kd is 0.1-1 microMolar and we can see the complex formation in size
> >> exclusion chromatography up to 200mM NaCl but also some unbound form)
> >> After trying different length of DNA, we recently obtained many
> >> crystal hits (the percipient is either PEG400 or MPD). The final ratio
> >> (prior to protein crystallization) between protein and DNA is 1:1.6
> >> considering some loss of protein during concentration. The crystal is
> >> birefringent. Since high conc. of PEG400 (MPD), the crystals were
> >> directly frozen in liquid N2. However, crystals only diffract to 8-10
> >> angstrom (anisotropic) and also  weird striking line are present
> >> (please see attachment). Do you think if it is  DNA alone crystal or
> >> protein/DNA complex crystal?
> >> How should I improve the diffraction quality?
> >>
> >>
> >>
> >> PS. We have done some tests. For example, set up the same conditions
> >> with DNA alone. I also tried to dissolve crystals in Bradford assay
> >> solution and I believe I saw some blueish color. But none of these
> >> tests are conclusive.
> >>
> >> Thanks for your suggestion.
> >>
> >> Joseph
> >
> >
>

Re: [ccp4bb] Strange Diffraction pattern! Protein/DNA complex or DNA alone crystal?

[Joseph Ho]

Dear Xiao and Hans:

Thanks for your reply. We tried to index it but failed.

Joseph
On Mon, Mar 12, 2018 at 11:15 PM, Xiao Lei  wrote:
> did you try to index it?  the cell dimensions may give you hint.
>
> On Mon, Mar 12, 2018 at 4:40 AM, Joseph Ho  wrote:
>>
>> Dear all:
>>
>>
>> I would like to seek your wisdom on our latest diffraction pattern. We
>> have been working on protein/DNA complex. The protein and DNA have
>> similar MW. By binding assay, we know the minimal length of DNA. (The
>> Kd is 0.1-1 microMolar and we can see the complex formation in size
>> exclusion chromatography up to 200mM NaCl but also some unbound form)
>> After trying different length of DNA, we recently obtained many
>> crystal hits (the percipient is either PEG400 or MPD). The final ratio
>> (prior to protein crystallization) between protein and DNA is 1:1.6
>> considering some loss of protein during concentration. The crystal is
>> birefringent. Since high conc. of PEG400 (MPD), the crystals were
>> directly frozen in liquid N2. However, crystals only diffract to 8-10
>> angstrom (anisotropic) and also  weird striking line are present
>> (please see attachment). Do you think if it is  DNA alone crystal or
>> protein/DNA complex crystal?
>> How should I improve the diffraction quality?
>>
>>
>>
>> PS. We have done some tests. For example, set up the same conditions
>> with DNA alone. I also tried to dissolve crystals in Bradford assay
>> solution and I believe I saw some blueish color. But none of these
>> tests are conclusive.
>>
>> Thanks for your suggestion.
>>
>> Joseph
>
>

[ccp4bb] PhD and Postdoc Positions in Structural Biology

[Clemens Grimm]

A PhD and a postdoc position in structural biology is available at the  
department of biochemistry at the Biocentre (head Prof. Utz Fischer)  
of the Julius Maximilians University, Wuerzburg/Germany in the field  
of RNP biochemistry.


The successful applicant will establish protocols for the isolation  
and reconstitution of preparative amounts of RNP complexes, which will  
then be characterized by cryo-electron microscopy and x-ray  
crystallography. We are looking for candidates with expertise in  
protein expression and purification and a strong interest in  
structural biochemistry. Prior knowledge of cryo electron microscopy,  
protein crystallography or biophysical methods is a plus.

Please send your application including a letter of interest,
curriculum vitae, academic certificates and the name and contact  
detail of at least one referee to


Prof. Utz Fischer/Dr. Clemens Grimm
e-mail: clemens.gr...@biozentrum.uni-wuerzburg.de
Lehrstuhl für Biochemie
Biozentrum der Universitaet Wuerzburg
Am Hubland
D-97074 Wuerzburg


--
Dr. Clemens Grimm
Institut für Biochemie
Biozentrum der Universität Würzburg
Am Hubland
D-97074 Würzburg
Germany
e-mail: clemens.gr...@biozentrum.uni-wuerzburg.de
phone : +49 0931 31 84031
-

[ccp4bb] New release of iMosflm (7.2.2)

[Andrew Leslie]

There is a new release of iMosflm available from the MRC-LMB web site:  
https://www.mrc-lmb.cam.ac.uk/harry/imosflm/ 


The changes since the previous version are listed below, perhaps the most 
important is that this version will read the “full cbf” image format produced 
on beam lines IO4 and IO3 (and other beamlines in the near future) at the 
Diamond Light Source.

Please notify mos...@mrc-lmb.cam.ac.uk  of any 
issues with this version.

Andrew Leslie & Harry Powell
Allow reading new-style Pilatus full CBF images written at Diamond Light Source 
(currently on beamlines IO4 and IO3 but soon to be extended to other 
beamlines). Version 7.2.1 will NOT read these images.

Correct a bug introduced in version 7.2.1 that caused detector parameter 
refinement to fail if detector parameters that were previously fixed were 
subsequently allowed to refine.

Deal optimally with Pilatus detectors where pixels in the gaps between modules 
have been assigned a value of zero rather than -1 (the default).

Check to make sure duplicate image numbers cannot be given to Integration task.

XML output being provided for CCP4i2 from both QuickScale and QuickSymm tasks.

Replaced pop-up that gave advice on how to proceed after indexing failure with 
one that gives option widgets and somewhat clearer advice.

Always set the pixel size from the current session; occasionally previous 
versions retained the pixel size from previous sessions (when using the "New 
session" option) which caused problems if the detector changed.

Metadata from Rigaku Pilatus detectors handled better (crystal to detector 
distance and detector two-theta angle were decoded incorrectly).

Small change in treatment for image data from Rigaku Pilatus detectors (default 
value for gain changed).

 Improved reading of metadata from Ed Westbrook's Taurus detector.

 Many output statements modified to help ensure valid XML is supplied to 
iMosflm.

 Tile boundaries correctly specified for Pilatus 2M.

Improve spot-finding near tile boundaries and shadows by reducing default size 
of local background box to 10 pixels and increasing the size of the safety zone 
(excluded from spot finding) adjacent to tile boundaries and defined masked 
areas.

Use the "count_cutoff" value from image header to set the detector saturation 
value for Pilatus and Eiger detectors.

Automatically set the "reverse phi" flag for detectors at Spring-8, recognised 
by the detector serial number.

Re: [ccp4bb] AW: [ccp4bb] Small molecule not refined in coot.

[M T]

Dear all,

I restart this topic because the problem was finally not solved...

Summary:
- I am working on a structure with an unnatural ligand and I want to refine
this ligand using coot.
- Each time I try to import the .cif of my ligand produced by PRODRG web
server or through CCP4/ProDrg, coot crashes with error message below (see
quoted messages).
- I sent my files to someone else and they are working on his computer
(both are Mac and are using CCP4/Coot on same SBGRID server, with same
files, and macOS was different).
- I saw that my macOS was outdated (Starting SBGRID saying "- MacOS X
versions 10.10 (Yosemite) and earlier are no longer officially supported").
- I did an update of my macOS to High Sierra (10.13.3).
- I retried with same files, Coot crashed.
- I went back to PRODRG server to generate a simple .cif (CH3-CH2-CH2-CH3).
- I started Coot, opened the .cif file using "Import CIF dictionary...",
Coot crashed.

It seems that opening any .cif file on my computer causes Coot crash.

Here are the terminal lines for Coot starting, .cif opening and crash; in
which there is some WARNING I can't really understand completely (I'm not
an unix power user).

INFO:: Using Standard CCP4 Refmac dictionary from CLIBD_MON:
> /programs/i386-mac/ccp4/7.0/ccp4-7.0/lib/data/monomers/
> INFO:: Reading coordinate file:
> /programs/i386-mac/ccp4/7.0/ccp4-7.0/share/coot/standard-residues.pdb
>  PDB file
> /programs/i386-mac/ccp4/7.0/ccp4-7.0/share/coot/standard-residues.pdb has
> been read.
> Spacegroup: P 1
> initalize graphics molecules...done.
> (filter-fileselection-filenames-state)
> (get-active-map-drag-flag)
> (use-graphics-interface-state)
> INFO:: coot.py imported
>
> ** (coot-bin:2710): WARNING **: Trying to register gtype
> 'GMountMountFlags' as enum when in fact it is of type 'GFlags'
>
> ** (coot-bin:2710): WARNING **: Trying to register gtype
> 'GDriveStartFlags' as enum when in fact it is of type 'GFlags'
>
> ** (coot-bin:2710): WARNING **: Trying to register gtype 'GSocketMsgFlags'
> as enum when in fact it is of type 'GFlags'
> INFO:: coot_python initialized
> Running python script
> /programs/i386-mac/ccp4/7.0/ccp4-7.0/lib/python2.7/site-packages/coot/coot_load_modules.py
> Good Afternoon Username, Welcome to Coot version 0.8.9
> (set-display-intro-string "Good Afternoon Username, Welcome to Coot
> version 0.8.9")
> Coot Python Scripting GUI code found and loaded.
> Coot Python Scripting GUI code found and loaded.
> WARNING:: no directory "/programs/share/coot/pyextras" in
> COOT_PYTHON_EXTRAS_DIR
> /programs/share/coot/pyextras:/Users/Username/.coot-pyextras
> WARNING:: no directory "/Users/Username/.coot-pyextras" in
> COOT_PYTHON_EXTRAS_DIR
> /programs/share/coot/pyextras:/Users/Username/.coot-pyextras
> (use-graphics-interface-state)
> (filter-fileselection-filenames-state)
> (get-active-map-drag-flag)
> (use-graphics-interface-state)
> Coot Scheme Scripting GUI code found and loaded.
> Good afternoon Username. Welcome to Coot 0.8.9.
> (set-display-intro-string "Good afternoon Username. Welcome to Coot 0.8.9")
> (set-display-lists-for-maps 0)
> load /Users/Username/.coot-preferences/coot-preferences.scm
> (set-filter-fileselection-filenames 0)
> (unset-sticky-sort-by-date)
> (set-colour-map-rotation-on-read-pdb 20.30)
> (set-colour-map-rotation-on-read-pdb-c-only-flag 1)
> (set-density-size 10.00)
> (set-swap-difference-map-colours 0)
> (set-active-map-drag-flag 1)
> (set-idle-function-rotate-angle  1.00)
> (filter-fileselection-filenames-state)
> (get-active-map-drag-flag)
> (use-graphics-interface-state)
> (first-coords-imol)
>
> ** (coot-bin:2710): WARNING **: Widget not found:
> cif_dictionary_file_selector_create_molecule_checkbutton
> /programs/i386-mac/ccp4/7.0/ccp4-7.0/bin/coot: line 288:  2710
> Segmentation fault: 11  $coot_bin "$@"
> catching the crash log:
> coot-exe: "/programs/i386-mac/ccp4/7.0/ccp4-7.0/libexec/coot-bin"
> coot-version:
> /programs/i386-mac/ccp4/7.0/ccp4-7.0/libexec/coot-bin
> platform:
> /usr/bin/uname
> core: #f
> No core file found.  No debugging
>


Anybody has an idea to solve the problem?

Thanks.

Michel.

2018-03-06 16:03 GMT+01:00 M T :

> Last update...
>
> Everything works well with the same files and the same Coot version on an
> other computer. The problem may come from the os of my computer which is
> too old and has to be upgraded.
>
> Thank you for your help.
>
> 2018-03-06 9:20 GMT+01:00 M T :
>
>> Dear all,
>>
>> I did something very simple...
>>
>> Starting from the pdb I obtained from PRODRG server (manual drawing, then
>> transfer to PRODRG and download of the pdb from server), in CCP4 I used
>> ProDrg to generate a new .cif and a new .pdb.
>> After I used "View Job Results (ew style)" to open my new pdb in coot, I
>> loaded the .mtz coming from the previous run of Refmac (in which I have a
>> nice green blob corresponding to my ligand), I tried "Real Space Refine
>> Zone" and ofc "Failed to find 

[ccp4bb] SEC cryo-EM

[Bastian Braeuning]

Hi all,

I'm curious about which kind of chromatography set-up people are using for 
running size-exclusion chromatography as a final purification step prior to 
vitrification and cryo-EM. 

Especially for scarce samples/small volumes, you'd want to have a system with 
minimal dead volumes and the ability to fractionate small volumes (say <40-50 
µL) accurately, so as to minimize sample dilution.

Does anyone do this on an HPLC system as opposed to classical FPLCs?


Thanks!

Bastian

Re: [ccp4bb] improper rotation matrix

[Goldman, Adrian]

I am struggling to see why one would want to apply an improper rotation, which 
I thought was defined as rotation plus reflection. Det=-1. Truly bad things 
happen to ones amino acids. 

Unless you had the coordinates from a small mol in one chiral arrangement, and 
wanted it in the other? But in that case just changing the sign of all the 
atomic coordinates would achieve the same. 

Adrian 

Sent from my iPhone

> On 12 Mar 2018, at 12:43, Tristan Croll  wrote:
> 
> Assuming you have a good reason for this, you can apply any arbitrary 
> transform fairly straightforwardly in ChimeraX. In the console 
> (Tools/General/Shell), and assuming your model is the only one loaded:
> 
> m = session.models.list()[0]
> import numpy
> transform_matrix = numpy.array([[r11, r12, r13, tx], [r21, r22, r23, ty], 
> [r31, r32, r33, tz]])
> from chimerax.core.geometry import Place
> transform = Place(matrix=transform_matrix)
> m.atoms.coords = transform.moved(m.atoms.coords)
> 
> ... which could of course be extended into a script to loop over many 
> models/transforms with a bit more work.
> 
> Hope this helps,
> 
> Tristan
> 
>> On 2018-03-12 10:24, Phil Evans wrote:
>> The command ROTATE in pdbset should allow to apply any valid rotation
>> matrix, ie determinant = +1.0
>> Anything else will distort the coordinates
>>> On 12 Mar 2018, at 10:13, Franck Coste  wrote:
>>> Hi all,
>>> I'd like to apply an improper rotation matrix to PDB files but it seems 
>>> it's not allowed in pdbset. Does anyone know a program where I could do 
>>> this ?
>>> Thanks in advance.
>>> Regards,
>>> Franck.
>>> --
>>> 

Re: [ccp4bb] improper rotation matrix

[Tristan Croll]

Assuming you have a good reason for this, you can apply any arbitrary 
transform fairly straightforwardly in ChimeraX. In the console 
(Tools/General/Shell), and assuming your model is the only one loaded:


m = session.models.list()[0]
import numpy
transform_matrix = numpy.array([[r11, r12, r13, tx], [r21, r22, r23, 
ty], [r31, r32, r33, tz]])

from chimerax.core.geometry import Place
transform = Place(matrix=transform_matrix)
m.atoms.coords = transform.moved(m.atoms.coords)

... which could of course be extended into a script to loop over many 
models/transforms with a bit more work.


Hope this helps,

Tristan

On 2018-03-12 10:24, Phil Evans wrote:

The command ROTATE in pdbset should allow to apply any valid rotation
matrix, ie determinant = +1.0

Anything else will distort the coordinates


On 12 Mar 2018, at 10:13, Franck Coste  
wrote:


Hi all,

I'd like to apply an improper rotation matrix to PDB files but it 
seems it's not allowed in pdbset. Does anyone know a program where I 
could do this ?


Thanks in advance.

Regards,

Franck.
--

Re: [ccp4bb] improper rotation matrix

[Eleanor Dodson]

Maybe you could turn your distorting matrix into into a fake symmetry
operator?




On 12 March 2018 at 10:24, Phil Evans  wrote:

> The command ROTATE in pdbset should allow to apply any valid rotation
> matrix, ie determinant = +1.0
>
> Anything else will distort the coordinates
>
>
> > On 12 Mar 2018, at 10:13, Franck Coste 
> wrote:
> >
> > Hi all,
> >
> > I'd like to apply an improper rotation matrix to PDB files but it seems
> it's not allowed in pdbset. Does anyone know a program where I could do
> this ?
> >
> > Thanks in advance.
> >
> > Regards,
> >
> > Franck.
> > --
> > 
>

Re: [ccp4bb] improper rotation matrix

[Phil Evans]

The command ROTATE in pdbset should allow to apply any valid rotation matrix, 
ie determinant = +1.0

Anything else will distort the coordinates


> On 12 Mar 2018, at 10:13, Franck Coste  wrote:
> 
> Hi all,
> 
> I'd like to apply an improper rotation matrix to PDB files but it seems it's 
> not allowed in pdbset. Does anyone know a program where I could do this ?
> 
> Thanks in advance.
> 
> Regards,
> 
> Franck.
> -- 
> 

[ccp4bb] improper rotation matrix

[Franck Coste]

Hi all,

I'd like to apply an improper rotation matrix to PDB files but it seems 
it's not allowed in pdbset. Does anyone know a program where I could do 
this ?


Thanks in advance.

Regards,

Franck.

--