Re: [ccp4bb] best program for merging the two datasets

2020-01-17 Thread Nicolas Foos
Hi Kahkashan, did you consider to use ccCluster. This program is very helpful. It's designed exactly for what you want. It allow an easy and quick analysis of which data sets you should merge. You can find it here : [ https://github.com/gsantoni/ccCluster | https://github.com/gsantoni/ccClust

Re: [ccp4bb] scale and merge suggestions

2020-11-04 Thread Nicolas Foos
Hi Almudena, did you cut the res. after the merge of your "individual" datasets ? or you cut for each and then you merged? Because I will probably go for the first, I merge and then I decide where to cut. If you cut for each, maybe you "miss" the gain provide by the redundancy you have cumula

Re: [ccp4bb] XSCALE!!! ERROR

2011-09-08 Thread Nicolas Foos
Hello Bashir, Maybe it's because your dataset present too much weak diffraction spots. You can try to change the setting for the strong pixel detection. You can Try to decrease a little bit de I/sigma. Have you define the resolution range? I read on your message that you resolution start at

Re: [ccp4bb] X-PLOR

2012-05-01 Thread Nicolas Foos
Hi, I find some information here : http://www.csb.yale.edu/userguides/datamanip/xplor/xplorman/htmlman.html And for a more usefull answer, they explain that : The hbuild statement tries to build the position of any selected hydrogen based on the position of the heavy atom antecedents (Brünge

Re: [ccp4bb] how to overlap DNA

2012-05-03 Thread Nicolas Foos
Dear Leo, I use "*superpose*" included in the ccp4 programms suite. You can manage a lot of parameters. In my case for exemple, i use the "superpose specified atoms/residues" I defined the model which move et the one wich is the reference. I precise the residues range (in DNA case residue me

Re: [ccp4bb] DNA-protein complex.

2010-11-15 Thread Nicolas Foos
Hi, maybe you solved your problem, if not, you can try this : You prepare your protein at high salt concentration. After that you add your ssDNA directly and you proceed by dialysis. You prepare your dialysis with a low salt concentration buffer. You can use different buffer by step in order

Re: [ccp4bb] SP Sep HP tight binding of proteins

2011-01-04 Thread Nicolas Foos
Hi Meg, If the bigger peak is appearing when you wash with 1M NaOH, i think your protein is precipitated on the the column. If you have your protein relatively pure after the precedent step, maybe you can try different buffer. You can probably find a better buffer than this one. If your prot

Re: [ccp4bb] DNA analysis with Curves+

2011-02-04 Thread Nicolas Foos
Hello Edward, I am not really certain for my explanation, but your error message about the namelist could be provoked by a problem in your input files. In fact you have to oriented each strand and define limits of the two strands. If you do a mistake with the orientation you can have this typ

Re: [ccp4bb] hello

2011-07-21 Thread Nicolas Foos
Hello Afshan, Maybe the programm that you use for refinement need specific entry with restraint for your modified amino acids. More precisely, i think about the *.cif file for exemple. HTH. Nicolas Le 21/07/11 17:13, Afshan Begum a écrit : Dear all, I have facing one problem during the ref

Re: [ccp4bb] coot torsion angle restraint

2011-07-24 Thread Nicolas Foos
Hi, i think that this option for the real space refinement is for _all_ the torsion angle. You can find more informations with this link : http://www.ysbl.york.ac.uk/~emsley/coot/doc/chapters/user-manual_5.html#SEC92 In the 5.1 section. Hope to help you. Nicolas Le 24/07/11 02:24, zhang yu

Re: [ccp4bb] Mutating bases in DNA

2010-09-13 Thread Nicolas Foos
Hi Rex, If you have to mutate only few bases, maybe you can proceed manualy with coot. And maybe after mutate refine at less for geometricals parameters of your "new" base. Nicolas. Le 13/09/10 16:43, Rex Palmer a écrit : Does anyone know of a program that will mutate a given base in the pd

Re: [ccp4bb] Dose anyone see this ligand before?

2013-07-16 Thread Nicolas Foos
Dear wei, i think you have to keep in mind what do you have in your cristal growing condition, and in you protein buffer. Because maybe you can find which molecules this ligand could be. It's difficult to help more, because we don't know you level of sigma for the map and the resolution of you

Re: [ccp4bb] Spots not getting indexed properly in protein-DNA complex

2013-08-01 Thread Nicolas Foos
Dear Appu, one direction of your cristal has very anistropic diffraction. I think your cristal has grown like multi-layer. The problem is probably due to the DNA. If the different "layer" of your cristal are not very well aligned, you have this type of problem. In my opinion, you can try to

Re: [ccp4bb] x-ray diffraction data analysis (XDS)

2013-08-30 Thread Nicolas Foos
Dear Yu, in the CORRECT.LP, The I/Sig is very low for the resolution higher than 4.17 . If i were you i probably cut the resolution around 4 Å not 2.8 Å. Because of the I/sig and CC. This explain probably the bad electron density. Because, you have not strong information for the resolution

Re: [ccp4bb] DNA interaction 2D plot software

2013-10-16 Thread Nicolas Foos
Hello, you can try Nucplot. http://www.ebi.ac.uk/thornton-srv/software/NUCPLOT/ Very usefull and tunnable to find and show dsDNA/protein complex. Hope to help. Nicolas Le 16/10/13 21:23, Eike Schulz a écrit : Hello everyone, I would like to display the interactions of a protein dsDNA complex

Re: [ccp4bb] Python3 and MTZ

2018-06-06 Thread Nicolas FOOS
that works very well. Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87 +33 (0)4 76 88 45 19 On 06/06/2018 14:25, Kay Diederichs wrote: Dear all, I haven't tried t

Re: [ccp4bb] Ramachandran outliers

2019-03-08 Thread Nicolas FOOS
at relatively "low" resolution. Hope this help. Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87 +33 (0)4 76 88 45 19 On 08/03/2019 10:36, Tereza Skalo

Re: [ccp4bb] unmounted cryoloops supplier

2019-05-14 Thread Nicolas FOOS
Dear Simone, I think here is what you are looking for : https://www.mitegen.com/product/dual-thickness-micromounts/ Best, Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76

Re: [ccp4bb] metal electron density detection

2016-10-25 Thread Nicolas FOOS
ystal structures. Acta Crystallographica D /70/, 1104–1114. Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87 +33 (0)4 76 88 45 19 On 25/10/2016 11:04, ansuman biswas wrote

Re: [ccp4bb] Fwd: [ccp4bb] RE : [ccp4bb] Strange diffraction image

2012-10-12 Thread Nicolas Foos
Dear Chang, i have seen ATP diffraction, it's not very different of your image. Maybe you have only ATP in your crystals? Best regard Nicolas Le 12/10/12 14:56, Chang Qing a écrit : Dear Tim I think your explanation is logical. But I tried ADP as ligand first and got crystals and diffracti

Re: [ccp4bb] Assemble Protein-DNA complex

2012-11-09 Thread Nicolas Foos
Dear Wei, If i understand your different experiment, you try to obtain your protein DNA complex at different salt concentration with different method to reach the final concentration. I read that you try 150 mM KCl + 150 mM NaCl as high concentration salt, it result in 300 mM cations and 300

Re: [ccp4bb] RNA 3D structure alignment

2013-03-14 Thread Nicolas Foos
Dear Chen, you can find lsqkab and Topp in ccp4 : coordinates utility and superpose molecule (if you use the GUI). Hope to help you. Nicolas Le 14/03/13 21:53, Chen Zhao a écrit : Dear all, I am now struggling to align two 3D RNA structures. I know there are a bunch of web servers, but th

Re: [ccp4bb] Build DNA to fit density

2013-03-18 Thread Nicolas Foos
Hi Wei, If you have an interpretable density, the efficientest way in my opinion, is to construct manually (only 6bp). You can use coot and the button "add residue". Coot can add nucleotide directly at the extremity of your existing nucleic acid model. Hope to help you. Nicolas Le 18/03/1

Re: [ccp4bb] fplc system

2013-03-28 Thread Nicolas Foos
Dear Alex, i work with Purifier. To my mind, this is a very nice system. High reliability. We are a lot of differents users and we share the same system, some of us are not very implicated in the cleaning and maintenance procedure, nonetheless the Akta works well. Akta Purifier with 3 waveleng

Re: [ccp4bb] Diffraction image viewer with display of resolution circles

2013-05-23 Thread Nicolas Foos
Hi Rafal, have you try ADXV ? I never try to use idiffdisplay, but i know that ADXV can display resolution circles. If your software is able to open the image, but can't show the circles. I think it's not really a problem with the image format, but with the information in the Header of your

Re: [ccp4bb] MR solution not working

2022-03-03 Thread Nicolas Foos
BED1=CCP4BB&A=1 <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> -- Nicolas Foos PhD - ARISE fellow https://orcid.org/-0003-2331-8399 EMBL Grenoble, McCarthy Team 71 av. des Martyrs, 38000 Grenoble FRA

Re: [ccp4bb] Comparing two datasets

2022-07-25 Thread Nicolas Foos
. Mirek To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> -

Re: [ccp4bb] intrasubunit rotation axis

2016-11-17 Thread Nicolas FOOS
hese axis. Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87 +33 (0)4 76 88 45 19 On 17/11/2016 23:48, Paul Emsley wrote: On 18/11/2016 03:57, chemocev marker wrote: Hi

Re: [ccp4bb] Ubuntu Mate for Pymol and Coot 3D

2016-12-20 Thread Nicolas FOOS
well with numbers of hardware configuration especially if you activate the proprietary repository in the packet manager. I used for a long time Xubuntu without any issues and was very happy with it. CCP4 and other soft are perfectly packed for this OS. HTH Nicolas Nicolas Foos PhD Structur

Re: [ccp4bb] Ubuntu Mate for Pymol and Coot 3D

2016-12-20 Thread Nicolas FOOS
Dear Paul, I am currently not working under Ubuntu OS, so I can't try your fix. But if my memory is still good, it was exactly the problem (the dynamic menus). And I am sure that some ccp4bb reader will be happy to find and try this solution. Thank you. Nicolas Nicolas Foos PhD Struc

Re: [ccp4bb] Slightly OT: crystallization teaching resources for kids

2017-01-04 Thread Nicolas FOOS
you mixed orange with water melon it's difficult to obtain nice pyramid. For crystallization experiment which work, I have no Idea out of the one you already mentioned. Hope this help. Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenu

Re: [ccp4bb] Slightly OT: crystallization teaching resources for kids

2017-01-05 Thread Nicolas FOOS
ch easier for the rest to line up (this is consistent with Patrick's explanation). Cheers, Tim On Wednesday 04 January 2017 05:45:50 PM Nicolas FOOS wrote: Dear Evette, If I was is your situation (explaining nucleation and other concept). I will discuss in terms of energy. I mean obtainin

Re: [ccp4bb] Off-topic question about SEC

2017-01-12 Thread Nicolas FOOS
discriminate "interaction with resin" that you suspect from oligomerization. Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87 +33 (0)4 76 88 45 19 On 12/01/2017 01:50, C

Re: [ccp4bb] surface area

2017-03-14 Thread Nicolas FOOS
view, surface only... and if you consider to discuss small variations the resolution of the data and the reliability of your model may have important influence. Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220

Re: [ccp4bb] Large number of outliers in the dataset

2017-03-29 Thread Nicolas FOOS
plain of Xtriage about outlier is due to this high mosaicity. What is the diagnostic of Xtriage in terms of possible twinning? I am also wondering about a pseudo translation. Maybe try to re-processed your data in this direction. Hope to help. Nicolas Nicolas Foos PhD Structural Biology

Re: [ccp4bb] Protein or DNA crystals

2017-06-19 Thread Nicolas FOOS
maybe are they already good enough to do some in-situ data collection or serial synchrotron experiment. Hope to help Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87

Re: [ccp4bb] Weak density of RNA in a complex structure

2017-06-21 Thread Nicolas FOOS
ssibility let's try. Hope to help. Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87 +33 (0)4 76 88 45 19 On 21/06/2017 09:34, Chen WeiFei wrote: Dear All, W

Re: [ccp4bb] CCP4i2 Error in wrapper

2017-11-17 Thread Nicolas Foos
Hello, I am not sure but I had the same kind of problem using ccp4 on Linux "exotic" distribution which use python 3 by default. Check that your Linux installation has python 2.x as default python in your environement. Hope this guide a bit the trouble shooting. Nicolas Horrell, Sam

Re: [ccp4bb] How to define the DNA bond between P and O3’ from two different symmetric units?

2018-01-30 Thread Nicolas FOOS
understand what is going on. Hope this finally help. Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87 +33 (0)4 76 88 45 19 On 29/01/2018 20:28, Peng wrote: Hello, every

Re: [ccp4bb] How to fit DNA in density map of protein-DNA complex

2018-03-21 Thread Nicolas FOOS
quence and create a pdb model. Once you have this, you can fit it with you favorites program or manually. Depending of your strategy, you will need to merge your current model with the DNA one and continue to refine. HTH Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiatio

Re: [ccp4bb] merging an hkl file

2018-04-18 Thread Nicolas FOOS
I lkije the riddle, so: I guess it's something for Signal Noise Ratio (?)  (help by the context) ;-) Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87 +33 (0)4

Re: [ccp4bb] Fragile Crystals

2023-11-23 Thread Nicolas Foos
e CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> -- Nicolas Foos PhD - ARISE fellow https://orcid.org/-0003-2331-8399 EMBL Grenoble, McCarthy Team 71

Re: [ccp4bb] Crystals with DNA

2024-02-08 Thread Nicolas Foos
ollowing link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> -- Nicolas Foos PhD - ARISE fellow https://orcid.org/-0003-2331-8399 EMBL Grenoble, McCarthy Team 71 a

Re: [ccp4bb] Crystals with DNA

2024-02-09 Thread Nicolas Foos
DNA not have to be blunt ended? Sent from Yahoo Mail on Android <https://mail.onelink.me/107872968?pid=nativeplacement&c=Global_Acquisition_YMktg_315_Internal_EmailSignature&af_sub1=Acquisition&af_sub2=Global_YMktg&af_sub3=&af_sub4=10604&af_sub5=EmailSignature

[ccp4bb] error when running pandda.inspect

2024-04-16 Thread Nicolas Foos
e named giant.logs" So I tried to fixed it myself, without success up to now. Maybe I am missing something obvious. I did search on the ccp4bb archive. Someone had exactly the same issue. But I couldn't find any answer. If someone could help me. Have a nice day. Nicolas -- Ni

Re: [ccp4bb] Issue Aligning PanDDA Generated Map with PDB in PyMOL

2024-07-23 Thread Nicolas Foos
bers of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/ -- Nicolas Foos PhD - ARISE fellow https://orcid.org/-0003-2331-8399 EMBL Grenoble, McCarthy Team 71 av. des