[ccp4bb] is there any version of xia2 or XDSME compatible with new XDS?

2013-07-03 Thread Rain Field
Hi, I found the current release of xia2 or XDSME is not compatible with latest XDS. Is there any similar software available? Thanks!

Re: [ccp4bb] phaser 2.5.2 in ccp4 6.3.0 does not output Hendrickson Lattman coefficients

2013-07-03 Thread Randy Read
Dear Petr, Presumably you're just talking about Phaser for molecular replacement, because Phaser still produces HL coefficients for SAD phasing. There were two major reasons we made this change. First, the presence of HL coefficients can fool some programs into thinking that you have

Re: [ccp4bb] is there any version of xia2 or XDSME compatible with new XDS?

2013-07-03 Thread Sebastiano Pasqualato
Check the highly build of xia2: http://xia2.blogspot.it/2013/06/nightly-build.html the one of Jun 25th surely works with the new version of XDS, provided you install the nightly build of phenix (works with dev-1412). hth, ciao, S On Jul 3, 2013, at 10:20 AM, Rain Field rainfiel...@163.com

[ccp4bb] AW: Split Crystal Dataprocessing

2013-07-03 Thread Herman . Schreuder
Hi Rhys, Since I did not see a reaction on the BB a few comments from me. The first is that it never hurts to grow better crystals. Life and the referees will be much easier. The good news is that it is often possible to get surprisingly useful data from badly looking diffraction images.

[ccp4bb] PDB secondary structure assignments

2013-07-03 Thread Pavšič , Miha
Dear CCP4BB members, what is the usual practice regarding secondary structure assignments when preparing publication figures of protein structures and topology diagrams from deposited PDB files? The deposited PDB files already contain such assignments in the header section (using PROMOTIF?).

[ccp4bb] somewhat off-topic: stereo on macs for building into density...

2013-07-03 Thread Adrian Goldman
Hi, I thought I'd pose my perennial question about 3D-stereo on Macs. There is the Zalman solution (not terribly good, and are they making monitors any more?) - are there other vendors doing the same thing? Maybe at higher resolutions?? In addition, is there any evidence

Re: [ccp4bb] phaser 2.5.2 in ccp4 6.3.0 does not output Hendrickson Lattman coefficients

2013-07-03 Thread Petr Leiman
Dear Randy, Thank you for your quick response. Obviously, you have given this a lot of thought. I would like to have the HL coefficients in the phaser output file for downstream compatibility with density modification programs such as resolve. Thank you, Petr On 07/03/2013 10:46 AM, Randy

Re: [ccp4bb] PDB secondary structure assignments

2013-07-03 Thread Robbie Joosten
Hi Miha, I thought the PDB actually uses DSSP. Perhaps it is a different version, there have been some new releases recently. Anyway, there is no reason why you should stick to the assignment of the PDB. If another program gives slightly different results you can use those as long as you make

Re: [ccp4bb] Split Crystal Dataprocessing

2013-07-03 Thread Andrew Leslie
It turns out that these images contain two distinct lattices, separated by a rotation of about 5 degrees. Using the development version of iMosflm the two lattices can be easily indexed and integrated. However, the data is quite incomplete due to severe radiation damage. Andrew On 2 Jul

Re: [ccp4bb] PDB secondary structure assignments

2013-07-03 Thread Mark J van Raaij
you are probably right, but the depositor can override the automatic secondary structure assignment by submitting his own. Perhaps this is what happened here. I would recommend the original poster to generate them by hand by inspection of the structure plus density if possible - i.e. not trust

[ccp4bb] Off Topic: Bio-Rad fraction collector misalignment problem

2013-07-03 Thread Ailong Ke
Dear All, Sorry for my off-topic question. Our Bio-Rad Fraction Collector developed a problem lately. It kept misaligning with the tubes, especially when the robotic arm moves from one row to the next, and we have to watch over it frequently to avoid losing fractions. We tried repeatedly to

Re: [ccp4bb] somewhat off-topic: stereo on macs for building into density...

2013-07-03 Thread mark Mayer
Xavier, What Mac and graphics card works for stereo on the LG display? Mut be a newish model to have HDMI output. Thanks, Mark

[ccp4bb] RE : [ccp4bb] is there any version of xia2 or XDSME compatible with new XDS?

2013-07-03 Thread LEGRAND Pierre
Hi, Sorry, I'm a bit late on this one. I have just uploaded a new version of xdsme (0.5.0.2) that works with the latest version of xds. We have tested it for a few days on the beamlines, but do not hesitate to report bugs (directly to me). You can catch it here: http://code.google.com/p/xdsme/

[ccp4bb] Double stranded DNA concentration estimation

2013-07-03 Thread Appu kumar
Deal CCP4 member's Sorry for asking Off topic question. Please correct me if i am doing wrong measurements. I am determining the double stranded concentration using the absorbance spectrophotometer reading at 260A and extinction coefficients for individual