Re: [ccp4bb] Virtual Crash Course - Understanding PDBx/mmCIF | May 3rd | REGISTER NOW!

2023-05-02 Thread Gregg Crichlow
One more reminder The course is *tomorrow*. The RCSB Protein Data Bank will provide a course, "Use PDB data to their full extent: Understanding PDBx/mmCIF" on Wednesday, May 3rd 2023 from 1:00-3:00 EDT Understand the basics of PDBx/mmCIF data dictionary and file format that underpin archiv

[ccp4bb] Virtual Crash Course - Understanding PDBx/mmCIF | May 3rd | REGISTER NOW!

2023-04-04 Thread Gregg Crichlow
Just a reminder for those who are interested but have not yet registered... The RCSB Protein Data Bank will provide a course, "Use PDB data to their full extent: Understanding PDBx/mmCIF" on Wednesday, May 3rd 2023 from 1:00-3:00 EDT Understand the basics of PDBx/mmCIF data dictionary and file

[ccp4bb] Virtual Crash Course - Understanding PDBx/mmCIF | May 3rd | REGISTER NOW!

2023-03-09 Thread Gregg Crichlow
me Stephen K. Burley, M.D., D.Phil. Director, RCSB PDB and Founding Director, Institute for Quantitative Biomedicine, Rutgers University 1:10–1:25 PM Introduction and course objectives Gregg Crichlow, Ph.D., RCSB PDB, Rutgers University 1:25–1:45 PM PDBx/mmCIF format - Not your parents’ legac

Re: [ccp4bb] Treating Missing Reflections as Zero or Fcalc

2014-11-28 Thread Gregg Crichlow
ld further decrease the noise > level and might get an even better indication of the two overlapping > ligands. > > Did I mention I like shelxl ;-) (NB: these are 1.55A data!) > > Best regards, > Tim > > On 11/28/2014 06:22 AM, Gregg Crichlow wrote: > > My fault for not

[ccp4bb] Treating Missing Reflections as Zero or Fcalc

2014-11-27 Thread Gregg Crichlow
re factors for running tests; however, as I said, I was not free to distribute them at the time. Now they are publicly available: PDB ID 4K9G. I hope this helps all who are interested. Thank you. Gregg ******* > > *Gregg Crichlow *Visiting Research Scientist > Dep

Re: [ccp4bb] Free Reflections as Percent and not a Number

2014-11-27 Thread Gregg Crichlow
t free to distribute them at the time. Now they are publicly available: PDB ID 4K9G. I hope this helps all who are interested. Thank you. Gregg *** *Gregg Crichlow *Visiting Research Scientist Department of Pharmacology Yale University School of Medicine On Thu, Nov 27, 201

Re: [ccp4bb] Google Gets it Right

2014-05-12 Thread Gregg Crichlow
Actually, it was noticing penG that made me mouse over it myself. After spending many years completing a thesis on beta-lactamases, I was very surprised - and excited - to see that on something as main-stream as Google. But then when I paid attention more closely, I saw that they even have a good r

Re: [ccp4bb] Google and Dorothy Hodgkin

2014-05-12 Thread Gregg Crichlow
might have missed her birthday four years ago? Gregg From: Harry Powell [mailto:ha...@mrc-lmb.cam.ac.uk] Sent: Monday, May 12, 2014 9:12 AM To: Gregg Crichlow Cc: Harry Powell Subject: Re: [ccp4bb] Google and Dorothy Hodgkin 104th birthday... odd one to commemorate! On 12 May 2014, at 13

[ccp4bb] Google and Dorothy Hodgkin

2014-05-12 Thread Gregg Crichlow
Hello everyone in ccp4bb-land, Was it one of the frequent contributors to this forum who had something to do with Google highlighting Dorothy Hodgkin’s 100th birthday? (see www.google.com <http://www.google.com> ). Gregg Crichlow

Re: [ccp4bb] AW: [ccp4bb] Dependency of theta on n/d in Bragg's law

2013-08-22 Thread Gregg Crichlow
I thank everybody for the interesting thread. (I'm sort of a nerd; I find this interesting.) I generally would always ignore that “n” in Bragg's Law when performing calculations on data, but its presence was always looming in the back of my head. But now that the issue arises, I find it interesting

Re: [ccp4bb] Substituting zero vs. Fc for unobserved reflections

2012-03-28 Thread Gregg Crichlow
unmodified (lower occupancy) ligand even when omitting all ligands in the model. However, the 2mFo-Dfc omit map shows the lower occupancy form better than the mFo-Dfc omit map. Interesting. Gregg *** Gregg Crichlow Dept. of Pharmacology Yale University

[ccp4bb] Substituting zero vs. Fc for unobserved reflections

2012-03-27 Thread Gregg Crichlow
factors. However, if anyone is interested, feel free to contact me, and when it is published I would be happy to let you know the PDB code, if you still want it. *** Gregg Crichlow Dept. of Pharmacology Yale University P.O. Box 208066 New Haven, CT 06520-8066 ***

Re: [ccp4bb] Unidentified ligand (electron density) found at active site

2007-12-01 Thread Gregg Crichlow
are used. From the Phenix GUI, click on the "Strategies" menu, and then go to the ligand sub-menu, and choose "ligand identification". Gregg *** Gregg Crichlow Department of Pharmacology Yale University Box 208066 New

Re: [ccp4bb] Old High B-Factor Issue

2007-06-23 Thread Gregg Crichlow
o model (maybe due to twinning, maybe to flexibility). I didn't try TLS. -- *** Gregg Crichlow Dept. of Pharmacology Yale University P.O. Box 208066 New Haven, CT 06520-8066 ***

[ccp4bb] Old High B-Factor Issue

2007-06-09 Thread Gregg Crichlow
*** Gregg Crichlow Dept. of Pharmacology Yale University P.O. Box 208066 New Haven, CT 06520-8066 ***