Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-30 Thread Xiao Lei
Taka, I really appreciate this information! I do have Displayport cable and can connect the card and Asus VG248QE both via the DP cable, somehow on the Nvidia control panel in Windows 10, I do not have an option of choosing "120HZ" or "144Hz", I only have option choosing "60Hz" or below, which

Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-30 Thread Takaaki Fukami
Xiao, If you connect the board and monitor by DisplayPort cable directly, it should work. I confirmed with Quadro M4000 and BenQ XL2420Z on CentOS 6, though not tested on Windows. Taka From: Xiao Lei [mailto:xiaolei...@gmail.com] Sent: Tuesday, January 31, 2017 10:08 AM Cc:

Re: [ccp4bb] variation in freerflag

2017-01-30 Thread Tim Gruene
Hi Robbie, I had long wondered how to flag the fields in game minesweeper with a deterministic algorithm. When I read about 'random sort and bin' I though this was quite a beautiful way. I wonder if there is any reason behind not doing it this way in freerflag. Assigning the flags randomly

Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-30 Thread Xiao Lei
I changed my mind, I should order the usb- powered DP to DVI dual link... On Mon, Jan 30, 2017 at 5:02 PM, Christine Gee wrote: > Hi Xiao, > > I can confirm you need to buy an active adapter if you want to convert the > display port on the graphics card to DVI. The one that

Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-30 Thread Xiao Lei
OK thanks, I'll update! On Mon, Jan 30, 2017 at 4:57 PM, wrote: > Dear Xiao, > > > > I think it would work, though I'm not sure because it's smaller and > cheaper than what I used (https://www.amazon.co.uk/ > Dell-BizLink-DisplayPort-Adapter-Powered/dp/B003XYBA72),

Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-30 Thread Christine Gee
Hi Xiao, I can confirm you need to buy an active adapter if you want to convert the display port on the graphics card to DVI. The one that they supply with the graphics card is passive and won't work. I was in the same boat about a year ago. I bought a USB powered active adapter which allowed

Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-30 Thread Xiao Lei
Dear Taka, Thank you for the information! For the active converter from DP to DVI, is it something like StarTech.com DisplayPort to DVI Active Adapter ( https://www.amazon.com/StarTech-com-DP2DVIS-DisplayPort-Active-Adapter/dp/B004SUO1GM) ? On Mon, Jan 30, 2017 at 4:25 PM,

Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-30 Thread Takaaki Fukami
Dear Xiao, You need an active converter from DP to DVI. You can't get 120Hz if you use a passive converter, even with a DVI dual link cable. If you used an adapter come with the board, it's probably passive. Taka From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Xiao

[ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-30 Thread Xiao Lei
Dear All, I tried to make Coot and Pymol 3D working for a HP Workstation with Quadro M4000 graphics card, the card has four displayport. I also has a Asus 24 inch 3D monitor. I tried to connect the graphics card with the monitor through displayport to displayport connection and displayport to

Re: [ccp4bb] variation in freerflag

2017-01-30 Thread Robbie Joosten
Hi Tim, I was discussing that with a student today, because we observe the same thing when we make test sets for k-fold cross validation. It is an implementation choice. You can random sort and then bin, or you can assign a random number to each reflection and translate that to a bin. The

[ccp4bb] variation in freerflag

2017-01-30 Thread Tim Gruene
Dear all, when I ran freerflag with the keyword FREERFRAC 0.002, the number of reflection per flag (between 0 and 500) is very high, it varies between 17 and 1. Why is there such a high variation, instead of flagging always the same number of reflections per flag (6-7 in my case)? Can the

Re: [ccp4bb] Abraham Szöke

2017-01-30 Thread Debanu Das
Dear Bill, So sorry to hear this news and the passing of another wonderful scientist and contributor in our field. It was very interesting reading your obituary. May his soul rest in peace. I first heard about John and Abraham as a graduate student and later on when I joined Sung-Hou for postdoc

[ccp4bb] Residential School on Medicinal Chemistry and Biology in Drug Discovery (ResMed): A Comprehensive One-Week Course

2017-01-30 Thread Strickland, Corey
All, I was asked by the meeting organizers to let the CCP4 community know about the 2017 Residential School on Medicinal Chemistry and Biology in Drug Discovery.See below for information about the course and contact information.. Sincerely, Corey - Dear all, The

Re: [ccp4bb] Abraham Szöke

2017-01-30 Thread Napoleao Fonseca Valadares
I'm really sad to hear that. Rest in peace. One of his articles, which has William as the first author, is very interesting, well-written, easy to read, and I use it to illustrate and open the mind of biochemistry students regarding several important topics. Works like a charm. RNA

[ccp4bb] Time to submit abstracts for ACA 2017 (May 26-30 in New Orleans)

2017-01-30 Thread Terwilliger, Thomas Charles
Dear Friends and Colleagues! Mark your calendars and join us in May for the 67th Annual Meeting of the American Crystallographic Association (ACA), to be held May 26-30 in New Orleans, LA, at the Hyatt Regency Hotel. The abstract submission is opened now till February 15th.

Re: [ccp4bb] !SPAM: [ccp4bb] secondary structure assignment to PDB file

2017-01-30 Thread Edward A. Berry
As I understood the problem, it is that automatic assignment comes out differently for different structures of the same protein or proteins so close that they should have the same secondary structure, due to differences in quality of the structures. The question then is not how to determine

[ccp4bb] Ultrafast X-ray Summer School in Hamburg: 12-15 June 2017

2017-01-30 Thread Thomas White
Hi all, The Ultrafast X-ray Summer School (UXSS) 2017 will take place at DESY in Hamburg, Germany, 12-15 June 2017. UXSS is an annual event jointly organized by the Center for Free-Electron Laser Science (CFEL) at DESY and the PULSE institute at SLAC National Accelerator Laboratory. As you can

[ccp4bb] Richard E. "Dick" Marsh

2017-01-30 Thread Bernard D Santarsiero
Dear Colleagues: I also wanted to recognize the recent passing of Dick Marsh on January 3 at the age of 94. https://www.caltech.edu/news/remembering-caltech-crystallographer-richard-marsh-53554 He wrote

[ccp4bb] Thanks!

2017-01-30 Thread Carter, Charlie
Bill, I followed Abraham Szöke’s work from a distance, but never met him. I knew he was imaginative, and that he made original contributions to density modification. I was much moved to read your appreciation of him. Many thanks, Charlie

Re: [ccp4bb] !SPAM: [ccp4bb] secondary structure assignment to PDB file

2017-01-30 Thread Tim Gruene
Dear J. Vitali, there are tools that have been mentioned by others, that assist with the assignment. The final decision depends on you as researcher. You should visually check the hydrogen bonding whether the boundaries are consistent with the automated assignment. People often seem to think

Re: [ccp4bb] secondary structure assignment to PDB file

2017-01-30 Thread Daniel Rigden
A variety of alternatives to DSSP are easily available here http://2struc.cryst.bbk.ac.uk/ As has been pointed out, methods other than the well-known DSSP may be particularly appropriate at lower-resolution or with model structures where perfect geometry, H-bond formation etc are not to be