Re: [ccp4bb] on space group

2017-01-18 Thread Smith Lee
Dear All,
Here may I make my question much clear? For the space group P 65 crystal, it 
seems we can call it "6-fold packing of subunits around a screw axis in the 
crystal". Then for the space group P 64 crystal, can it also be called "6-fold 
packing of subunits around a screw axis in the crystal"?
Smith 

On Thursday, January 19, 2017 11:50 AM, Ethan Merritt 
 wrote:
 

 On Thursday, 19 January 2017 02:33:14 AM you wrote:
> 
> Dear All,
> In the literature, somebody call space group P65 crystal as  "six fold screw 
> axis crystal packing", then I would not make any mistake if I call P64 space 
> group crystal also as  "six fold screw axis crystal packing",am I right?
> I am looking forward to getting a reply from you.
> Smith

"six-fold screw axis" refers to the symmetry.

"crystal packing" refers to the molecule-to-molecule contacts regardless of 
symmetry.

So no, I don't think "six fold screw axis crystal packing" makes any sense.

-- 
Ethan A Merritt, Dept of Biochemistry
Biomolecular Structure Center,  K-428 Health Sciences Bldg
MS 357742,  University of Washington, Seattle 98195-7742


   

[ccp4bb] error in startup script

2017-01-18 Thread Jiang Xu
Hi, Mr/Ms,
   I am a user of CCP4i. I recently discovered that imosflm cannot be used
on my win7. the error message is shown below.
   [image: Inline image 1]
  However, when I go to 'bin' folder and double click the imosflm.bat, the
program can be start up successfully. I don't know what's the problem.
Thank you!
Best!
Jiang Xu
Department of Molecular and Computational Biology
University of Southern California


[ccp4bb] on space group

2017-01-18 Thread Smith Lee

Dear All,
In the literature, somebody call space group P65 crystal as  "six fold screw 
axis crystal packing", then I would not make any mistake if I call P64 space 
group crystal also as  "six fold screw axis crystal packing",am I right?
I am looking forward to getting a reply from you.
Smith

[ccp4bb] Positions available at The Institute of Cancer Research, London, UK

2017-01-18 Thread Rob Van Montfort
The Institute of Cancer Research, London, is one of the world’s most 
influential cancer research institutes, with an outstanding record of 
achievement dating back more than 100 years. We provided the first convincing 
evidence that DNA damage is the basic cause of cancer, laying the foundation 
for the now universally accepted idea that cancer is a genetic disease. Today, 
The Institute of Cancer Research (ICR) leads the world at isolating 
cancer-related genes and discovering new targeted drugs for personalised cancer 
treatment. Under the leadership of our Chief Executive, Professor Paul Workman 
FMedSci, the ICR is ranked as the UK’s leading academic research centre. 
Together with our partner The Royal Marsden, we are rated in the top four 
cancer centres globally.The ICR is committed to attracting, developing and 
retaining the best minds in the world to join us in our mission – to make the 
discoveries that defeat cancer.
The Cancer Research UK Cancer Therapeutics Unit, within the Division of Cancer 
Therapeutics, is a multidisciplinary 'bench to bedside' centre, comprising 
around 160 staff dedicated to the discovery and development of novel 
therapeutics for the treatment of cancer. The Cancer Therapeutics Unit’s 
exciting goal is to discover high quality small molecule drug candidates and to 
progress these to clinical trial. All the scientific disciplines are in place 
to make this possible, including medicinal chemistry, biology, drug metabolism 
and clinical specialists who focus on new molecular targets emerging from human 
genome and ground breaking cell biology research.
In addition to the recently advertised postdoctoral protein crystallography 
position available in Dr Rob van Montfort’s Hit Discovery and Structural Design 
Team within the CTU (Ref. 1624336, closing date January 27th 2017) a second 
postdoctoral protein crystallography position is now available in Dr van 
Montfort’s team (Ref. 1627317). The successful candidate will establish the 
successful expression, purification and characterisation of one of our early 
stage targets, using contemporary expression systems and purification methods 
available within the Team. The Post-doc will establish the in-house 
crystallisation and structure determination for this exciting early stage 
target in CTU’s drug discovery portfolio and subsequently carry out the 
structural determination of protein-ligand complexes. In addition, the 
post-holder is expected to initiate the development of biochemical and 
biophysical assays development to monitor protein function. The successful 
candidate will be an integral member of a multidisciplinary project team and 
will interact closely with the biologists, computational chemists, medicinal 
chemists and structural biologists and will therefore be expected to work 
across the two sites in Chelsea, London and Sutton, Surrey. Applicants must 
have a PhD in a biological or physical science, and experience in 
macromolecular crystallography (to include protein biochemistry, protein 
crystallisation, & protein crystallography). Expertise in assay development and 
biophysical techniques would be advantageous. The starting salary for this 
position will be up to £35,538p.a. inclusive (based on previous experience). 
Appointment will be on a fixed-term contract for 1 year and benefits from a 
contributory defined benefit pension scheme and generous leave entitlement.
We are also seeking two highly motivated Higher Scientific Officers with 
experience in protein expression and purification to join Dr van Montfort’s 
team (Ref. 1627310). The postholders will be involved in establishing and 
carrying out the protein expression, purification, and characterisation of 
cancer targets to enable biochemical screening, high-throughput protein 
crystallography and Structure-Based Drug Design projects at the Unit. 
Applicants must be educated to degree level in a biological science and will 
ideally have an MSc or PhD in a relevant subject. Experience and demonstrable 
skills in molecular biology, protein expression in E.coli and protein 
purification are essential. Experience in protein expression in insect and/or 
mammalian cells and or biophysical techniques such as SPR, DSF and ITC is 
highly desirable.The starting salary for the two positions will be in the range 
Point 1 £32,145 - Point 4 £36,080 p.a. according to experience and the posts 
are offered initially on a fixed term contract 2 year contract.
Closing date for the three positions (Ref. 1627317 and Ref. 1627310) is 
February 17th 2017. Informal enquiries to 
rob.vanmontf...@icr.ac.uk - but applications 
must be submitted on-line (www.icr.ac.uk).
Dr. Rob van Montfort
Team Leader Hit Discovery and Structural Design
Joint Interim Head of Division of Structural Biology
Divisions of Cancer Therapeutics and Structural Biology
The Institute of Cancer Research
15 Cotswold Road
Sutton SM2 5NG
UK

Tel:
+44

[ccp4bb] Career Development Fellows in the ISMB, Birkbeck University of London

2017-01-18 Thread Nicholas Keep


   Birkbeck, University of London has three vacancies for Career
   Development Fellows for up to three years funded by Wellcome ISSF
   funding. These posts may be held part-time or full-time.

   
http://jobs.bbk.ac.uk/fe/tpl_birkbeckcollege01.asp?s=4A515F4E5A565B1A&jobid=62982,3483792359&key=109179339&c=98996182342315&pagestamp=secehisboccgnqexww


   Deadline March 19th 2017

   This is an opportunity for talented researchers to develop their own
   research program and apply for long term fellowships. Structural
   Biology is a particular strength at Birkbeck through the Institute
   for Structural and Molecular Biology www.ismb.lon.ac.uk/.
   Applications are sought from candidates with an exciting project and
   a strong publication record.  For informal inquiries please contact
   Prof Gabriel Waksman, the Director of the ISMB
   (g.waks...@mail.cryst.bbk.ac.uk)


--
Prof Nicholas H. Keep
Executive Dean of School of Science
Professor of Biomolecular Science
Crystallography, Institute for Structural and Molecular Biology,
Department of Biological Sciences
Birkbeck,  University of London,
Malet Street,
Bloomsbury
LONDON
WC1E 7HX

email n.k...@mail.cryst.bbk.ac.uk
Telephone 020-7631-6852  (Room G54a Office)
  020-7631-6800  (Department Office)
Fax   020-7631-6803
If you want to access me in person you have to come to the crystallography 
entrance
and ring me or the department office from the internal phone by the door



Re: [ccp4bb] MOLREP phased translation function

2017-01-18 Thread Tim Gruene
Dear Tommi,

the molrep documentation implies to me that 'MOLREP with electron density map' 
in CCP4i2 should do this. I don't have data to test it, though.

Best,
Tim

On Wednesday 18 January 2017 02:25:40 PM Kajander, Tommi A wrote:
> Hi,
> 
> is the phased translation function in MolRep still working under CCP4 -
> doenst seem to go forward with the old CCP4 GUI (i cant get any coordinated
> out phased or not)
 and the new one (CCP4i2) doesnt seem to have that
> option? (in other words i cant get any solution written out as
> coordinates). 
> -
> 
> I just get eg something like :
> 
> 
> --- convert "molrep.crd" to "molrep.pdb" ---
>   Time:15h 57m 14s  Elapsed: 0h 27m 19s
> 
>  OPENED INPUT MTZ FILE
>  Logical Name: /Users/tkajande/….../overall_best_refine_data.mtz   Filename:
> /Users/tkajande/…../overall_best_refine_data.mtz
 
>  Data line--- LABIN F=FP SIGF=SIGFP
> 
>  OPENED INPUT MTZ FILE
>  Logical Name: /Users/tkajande/……./overall_best_refine_data.mtz   Filename:
> /Users/tkajande/…../overall_best_refine_data.mtz
 
>  SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
>  SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
>  SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
>  SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
>  SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
>  SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
>  SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
>  SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
> 
> #CCP4I TERMINATION STATUS 1
> #CCP4I TERMINATION TIME 18 Jan 2017  15:57:50
> #CCP4I TERMINATION OUTPUT_FILES  XXX_42_molrep.doc XXX_42_molrep.xml
> XXX_42_rf.molrep_rf XXX_42_align.pdb
 #CCP4I MESSAGE Task completed
> successfully
> 
> 
> 
> (probably not a good solution but also output file name does not match the
> one suggested..  starting to get bit tired of it...)
 
> Thanks,
> Tommi
> 
> 
> 
> 
> 

-- 
--
Paul Scherrer Institut
Dr. Tim Gruene
- persoenlich -
Principal Investigator
Biology and Chemistry
OFLC/102
CH-5232 Villigen PSI

Phone: +41 (0)56 310 5297

GPG Key ID = A46BEE1A



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Re: [ccp4bb] Protein Purification

2017-01-18 Thread R. Michael Garavito
Sajid,

As Antonio said, we need more information in order to really help you.  
Particularly what columns you used and a little more about the protein target.  
As one who has worked on mammalian tissues, I found that some proteins are very 
sensitive to proteolysis after homogenization, but others are like a rock.  
Also, are you sure that the protein band you saw on SDS-PAGE is your protein 
target?  Do you have an antibody to detect your protein by western blot? 

Michael

P.S.:  I know that we live in a more anonymous social society dominated by 
social media, but I believe that most scientists are globalists and welcome the 
open and free exchange of information.  I wish that the younger users of this 
bulletin board would indicate where they are working (institute and 
department).  Others on CCP4BB may know someone even next door who can help.  
RMG


R. Michael Garavito, Ph.D.
Professor of Biochemistry & Molecular Biology
603 Wilson Rd., Rm. 513   
Michigan State University  
East Lansing, MI 48824-1319
Office:  (517) 355-9724 Lab:  (517) 353-9125
FAX:  (517) 353-9334Email:  rmgarav...@gmail.com





> On Jan 18, 2017, at 6:32 AM, sajid akthar 
> <0e9cc00295de-dmarc-requ...@jiscmail.ac.uk> wrote:
> 
> Dear All
> 
> I am purifying a protein from liver. In first step I spotted protein in Flow 
> Through and could see intense band in SDS PAGE. I pooled the fraction and did 
> second column. Surprisingly I could not see UV absorbance or even any band in 
> the SDS. I used PMSF as protease inhibitor from begining of purification. 
> First column I used Tris buffer (pH 8) and for second column I used MOPS 
> buffer (pH 6).
> 
> What could be the reason? 
> 
> Thanks in advance
> 
> Sajid



[ccp4bb] MOLREP phased translation function

2017-01-18 Thread Kajander, Tommi A
Hi,

is the phased translation function in MolRep still working under CCP4 - doenst 
seem to go forward with the old CCP4 GUI (i cant get any coordinated out phased 
or not)
and the new one (CCP4i2) doesnt seem to have that option? (in other words i 
cant get any solution written out as coordinates).

-

I just get eg something like :


--- convert "molrep.crd" to "molrep.pdb" ---
  Time:15h 57m 14s  Elapsed: 0h 27m 19s

 OPENED INPUT MTZ FILE
 Logical Name: /Users/tkajande/….../overall_best_refine_data.mtz   Filename: 
/Users/tkajande/…../overall_best_refine_data.mtz

 Data line--- LABIN F=FP SIGF=SIGFP

 OPENED INPUT MTZ FILE
 Logical Name: /Users/tkajande/……./overall_best_refine_data.mtz   Filename: 
/Users/tkajande/…../overall_best_refine_data.mtz

 SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
 SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
 SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
 SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
 SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
 SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
 SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib
 SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib

#CCP4I TERMINATION STATUS 1
#CCP4I TERMINATION TIME 18 Jan 2017  15:57:50
#CCP4I TERMINATION OUTPUT_FILES  XXX_42_molrep.doc XXX_42_molrep.xml 
XXX_42_rf.molrep_rf XXX_42_align.pdb
#CCP4I MESSAGE Task completed successfully



(probably not a good solution but also output file name does not match the one 
suggested..  starting to get bit tired of it...)

Thanks,
Tommi







Re: [ccp4bb] how to generate a complete biomolecule out of the BIOMOLECULE record

2017-01-18 Thread Pavel Afonine
Apply BIOMT:

phenix.pdb.biomt_reconstruction model.pdb

Apply MTRIX:

phenix.pdb.mtrix_reconstruction

GUI: Model Tools -> Model Reconstruction

Pavel

On Wed, Jan 18, 2017 at 2:13 AM, Armando Albert 
wrote:

> Dear all,
> Does any one know how to generate a complete biomolecule out of the
> BIOMOLECULE record from a pdb file that contains one of the four molecules
> forming a tetramer
> This is an Crio-EM model.
> Armando
>
>
>
> REMARK 350 BIOMOLECULE: 1
> REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
> REMARK 350   BIOMT1   1  1.00  0.00  0.000.0
> REMARK 350   BIOMT2   1  0.00  1.00  0.000.0
> REMARK 350   BIOMT3   1  0.00  0.00  1.000.0
> REMARK 350   BIOMT1   2  0.00 -1.00  0.00  332.7
> REMARK 350   BIOMT2   2  1.00  0.00  0.000.0
> REMARK 350   BIOMT3   2  0.00  0.00  1.000.0
> REMARK 350   BIOMT1   3 -1.00  0.00  0.00  332.8
> REMARK 350   BIOMT2   3  0.00 -1.00  0.00  332.7
> REMARK 350   BIOMT3   3  0.00  0.00  1.000.0
> REMARK 350   BIOMT1   4  0.00  1.00  0.000.0
> REMARK 350   BIOMT2   4 -1.00  0.00  0.00  332.7
> REMARK 350   BIOMT3   4  0.00  0.00  1.000.0
> REMARK 465
>


[ccp4bb] PhD studentship in Structural Biology

2017-01-18 Thread Vidya Darbari
Dear All,

I would be very grateful if you would kindly circulate the PhD studentship 
opportunity to any promising students in your Departments/Schools/Institutes.

Applications are invited for a Ph.D studentship to start in Oct 2017 in Dr. 
Vidya Darbari’s group in Queen Mary University of London to investigate 
transcription regulation by regulatory RNAs using structural biology 
techniques. Closing Date: 17th March.

Detailed information available at 
https://www.findaphd.com/search/ProjectDetails.aspx?PJID=76235

Applications are welcome from outstanding European/UK students with or 
expecting to obtain a first or upper-second class degree in Chemistry, 
Biochemistry, Biophysics or related disciplines. An MSc in appropriate subject 
and laboratory experience may be an advantage, but are not essential. The 
studentship will cover tuition fees and provide an annual tax-free maintenance 
allowance for 3 years at Research Councils UK rates (£16,296 in 2016/17).

For informal enquires please contact Dr. Darbari 
(v.darb...@qmul.ac.uk) and include your CV, a 
covering letter explaining eligibility and interest in the project and the 
contact details of two academic referees.

Applications are via the QMUL web-site.

Best Regards
Vidya


Dr. Vidya Chandran Darbari
Lecturer in Structural Biology
Office 4.34 Fogg building
Department of Chemistry and Biochemistry
School of Biological and Chemical Sciences
Queen Mary University of London
Mile End Road
London E1 4NS
Tel: 0207 882 6360


Re: [ccp4bb] Protein Purification

2017-01-18 Thread Antonio Ariza
Hi Sajid,

We need a bit more info to help you.

1) What sort of columns/techniques did you use? Affinity chromatography 
(nickel, GST, MBP, etc...), ion exchange (cation, anion ... heparin basically 
falls into this category as well), size exclusion, etc ...? 

2) What were the exact compositions of the buffers?

3) Conditions of the runs (temperature, time between lysing the cells, first 
column and second colum, etc...)

4) What sort of protein are you trying to purify (give us a general type of 
enzyme/protein class, you don't need to be specific if you don't want to)? Many 
types of protein have certain needs/preferences that you might not know about 
but somebody on the bulletin board might point out for you.

Finally, you should alway run "load", "flow through" and "elutate" samples from 
your column runs on SDS-PAGE. Did you do this and, if so, was your protein of 
interest present in the "load" sample (the pooled flow through sample you 
obtained from your first column)? It might have degraded or maybe it stuck to 
the filter/concentrator membrane if you filtered/concentrated the sample 
between columns.

Regards,

Tony

--

Dr. Antonio Ariza
University of Oxford
Sir William Dunn School of Pathology
South Parks Road
Oxford
OX1 3RE


From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of sajid akthar 
[0e9cc00295de-dmarc-requ...@jiscmail.ac.uk]
Sent: 18 January 2017 11:32
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Protein Purification

Dear All

I am purifying a protein from liver. In first step I spotted protein in Flow 
Through and could see intense band in SDS PAGE. I pooled the fraction and did 
second column. Surprisingly I could not see UV absorbance or even any band in 
the SDS. I used PMSF as protease inhibitor from begining of purification. First 
column I used Tris buffer (pH 8) and for second column I used MOPS buffer (pH 
6).

What could be the reason?

Thanks in advance

Sajid

[ccp4bb] Protein Purification

2017-01-18 Thread sajid akthar
Dear All

I am purifying a protein from liver. In first step I spotted protein in Flow 
Through and could see intense band in SDS PAGE. I pooled the fraction and did 
second column. Surprisingly I could not see UV absorbance or even any band in 
the SDS. I used PMSF as protease inhibitor from begining of purification. First 
column I used Tris buffer (pH 8) and for second column I used MOPS buffer (pH 
6).

What could be the reason? 

Thanks in advance

Sajid


Re: [ccp4bb] how to generate a complete biomolecule out of the BIOMOLECULE record

2017-01-18 Thread Armando Albert
Thanks. 
I did the following for each operator and worked fine. 
The CHAIN keyword renamed the original chain names. 
Armando

#
pdbset xyzin 5k7l.pdb xyzout 5k7l_GH.pdb << eof-1
transform 0.00 1.00  0.00 -1.00  0.00  0.00  0.00 
0.00  1.00 0. 332.7 0 
CHAIN A G
CHAIN B H
end
eof-1

El 18/01/2017, a las 11:16, Tim Gruene escribió:

> Dear Armando,
> 
> did you try the TRANSFORM command in pdbset? It seems appropricate to 
> generate 
> the other molecules. You probable need to do it separately for each operator 
> (except the first one, of course, the identity).
> 
> Best,
> Tim
> 
> On Wednesday 18 January 2017 11:13:21 AM Armando Albert wrote:
>> Dear all,
>> Does any one know how to generate a complete biomolecule out of the
>> BIOMOLECULE record from a pdb file that contains one of the four molecules
>> forming a tetramer This is an Crio-EM model.
>> Armando
>> 
>> 
>> 
>> REMARK 350 BIOMOLECULE: 1
>> REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
>> REMARK 350   BIOMT1   1  1.00  0.00  0.000.0
>> REMARK 350   BIOMT2   1  0.00  1.00  0.000.0
>> REMARK 350   BIOMT3   1  0.00  0.00  1.000.0
>> REMARK 350   BIOMT1   2  0.00 -1.00  0.00  332.7
>> REMARK 350   BIOMT2   2  1.00  0.00  0.000.0
>> REMARK 350   BIOMT3   2  0.00  0.00  1.000.0
>> REMARK 350   BIOMT1   3 -1.00  0.00  0.00  332.8
>> REMARK 350   BIOMT2   3  0.00 -1.00  0.00  332.7
>> REMARK 350   BIOMT3   3  0.00  0.00  1.000.0
>> REMARK 350   BIOMT1   4  0.00  1.00  0.000.0
>> REMARK 350   BIOMT2   4 -1.00  0.00  0.00  332.7
>> REMARK 350   BIOMT3   4  0.00  0.00  1.000.0
>> REMARK 465
> -- 
> --
> Paul Scherrer Institut
> Dr. Tim Gruene
> - persoenlich -
> Principal Investigator
> Biology and Chemistry
> OFLC/102
> CH-5232 Villigen PSI
> 
> Phone: +41 (0)56 310 5297
> 
> GPG Key ID = A46BEE1A
> 


Re: [ccp4bb] how to generate a complete biomolecule out of the BIOMOLECULE record

2017-01-18 Thread Tim Gruene
Dear Armando,

did you try the TRANSFORM command in pdbset? It seems appropricate to generate 
the other molecules. You probable need to do it separately for each operator 
(except the first one, of course, the identity).

Best,
Tim

On Wednesday 18 January 2017 11:13:21 AM Armando Albert wrote:
> Dear all,
> Does any one know how to generate a complete biomolecule out of the
> BIOMOLECULE record from a pdb file that contains one of the four molecules
> forming a tetramer This is an Crio-EM model.
> Armando
> 
> 
> 
> REMARK 350 BIOMOLECULE: 1
> REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
> REMARK 350   BIOMT1   1  1.00  0.00  0.000.0
> REMARK 350   BIOMT2   1  0.00  1.00  0.000.0
> REMARK 350   BIOMT3   1  0.00  0.00  1.000.0
> REMARK 350   BIOMT1   2  0.00 -1.00  0.00  332.7
> REMARK 350   BIOMT2   2  1.00  0.00  0.000.0
> REMARK 350   BIOMT3   2  0.00  0.00  1.000.0
> REMARK 350   BIOMT1   3 -1.00  0.00  0.00  332.8
> REMARK 350   BIOMT2   3  0.00 -1.00  0.00  332.7
> REMARK 350   BIOMT3   3  0.00  0.00  1.000.0
> REMARK 350   BIOMT1   4  0.00  1.00  0.000.0
> REMARK 350   BIOMT2   4 -1.00  0.00  0.00  332.7
> REMARK 350   BIOMT3   4  0.00  0.00  1.000.0
> REMARK 465
-- 
--
Paul Scherrer Institut
Dr. Tim Gruene
- persoenlich -
Principal Investigator
Biology and Chemistry
OFLC/102
CH-5232 Villigen PSI

Phone: +41 (0)56 310 5297

GPG Key ID = A46BEE1A



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[ccp4bb] how to generate a complete biomolecule out of the BIOMOLECULE record

2017-01-18 Thread Armando Albert
Dear all, 
Does any one know how to generate a complete biomolecule out of the BIOMOLECULE 
record from a pdb file that contains one of the four molecules forming a 
tetramer
This is an Crio-EM model. 
Armando



REMARK 350 BIOMOLECULE: 1   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B  
REMARK 350   BIOMT1   1  1.00  0.00  0.000.0
REMARK 350   BIOMT2   1  0.00  1.00  0.000.0
REMARK 350   BIOMT3   1  0.00  0.00  1.000.0
REMARK 350   BIOMT1   2  0.00 -1.00  0.00  332.7
REMARK 350   BIOMT2   2  1.00  0.00  0.000.0
REMARK 350   BIOMT3   2  0.00  0.00  1.000.0
REMARK 350   BIOMT1   3 -1.00  0.00  0.00  332.8
REMARK 350   BIOMT2   3  0.00 -1.00  0.00  332.7
REMARK 350   BIOMT3   3  0.00  0.00  1.000.0
REMARK 350   BIOMT1   4  0.00  1.00  0.000.0
REMARK 350   BIOMT2   4 -1.00  0.00  0.00  332.7
REMARK 350   BIOMT3   4  0.00  0.00  1.000.0
REMARK 465