[ccp4bb] Ph.D. student position in protein biochemistry and crystallography

2018-09-19 Thread Michael Weyand
*Ph.D. student position in protein biochemistry and crystallography* We are looking for a highly motivated Ph.D. student for our protein biochemistry and crystallography laboratory at the Dept. of Biochemistry at University Bayreuth, Germany. We use protein crystallography and a variety of bio

Re: [ccp4bb] Off topic: 'Difficult' Datasets for Processing Practice

2018-09-19 Thread graeme.win...@diamond.ac.uk
Matthew, One SBGrid example I used for a workshop was https://data.sbgrid.org/dataset/218/ This has the “wrong” beam centre as understood by (me/dials/xia2) which causes a certain amount of fun, nice example for use of the reciprocal lattice viewer and image viewer in DIALS to make sensible ch

Re: [ccp4bb] Off topic: 'Difficult' Datasets for Processing Practice

2018-09-19 Thread Keller, Jacob
I deposited a dataset on SBGrid from a calmodulin-peptide complex which has some "nice" features: merohedral twinning (with variable twin fraction in the same dataset) and unavoidable detector cutoffs. It's relatively easy to integrate, but solving is somewhat harder. There's a paper on it too w

[ccp4bb] Off topic: 'Difficult' Datasets for Processing Practice

2018-09-19 Thread Whitley, Matthew J
Dear colleagues, For teaching purposes, I am looking for a small number (< 5) of macromolecular diffraction datasets (raw images) that might be considered 'difficult' for a beginning crystallography student to process.  By 'difficult' I generally mean not able to be processed automatically by

[ccp4bb] Post-doctoral position at the Synchrotron SOLEIL (France)

2018-09-19 Thread CHAVAS Leonard
Dear all please consider the following post-doctoral position available at the Synchrotron SOLEIL in France. Would you or colleagues be interested, I would greatly appreciate if you could forward this message to them. Cheers, leo Postdoctoral position in life sciences (24 months) Synchrotron

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-19 Thread Sheila Boreiko
Interesting discussion is coming out of this question. I thank all that have provided input. Let me go a bit further concerning Daniel's considerations. What other dipole interaction might be distinctively ascribed by programs out of hydrogen bonds (and of course, they use to describe salt

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-19 Thread Stefano Trapani
Sorry, I did not realised that. (I should have changed subject of the original post) Yes, we are not saying different things. Stefano Le 2018-09-19 17:06, Frank von Delft a écrit : > Okay. The original poster asked about hydrogen bonds and electrostatic > interactions. That's what I wa

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-19 Thread Frank von Delft
Okay.  The original poster asked about hydrogen bonds and electrostatic interactions.  That's what I was referring to when I mentioned "enthalpic interactions". And I think you're saying the same thing - which is cool. On 19/09/2018 15:06, Stefano Trapani wrote: Hi Frank > > I mean that, in m

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-19 Thread Stefano Trapani
Hi Frank I mean that, in my opinion, the term "enthalpic interaction" is not appropriate to describe the hydrophobic effect, since the latter is mainly driven by changes in the (system) entropy, not enthalpy. Table1 of the cited paper reports the thermodynamic functions for transferring some n

[ccp4bb] DLS/CCP4 data analysis workshop 2018

2018-09-19 Thread David Waterman
PhD students, postdocs and early career scientists, Please consider applying for the fifth joint DLS/CCP4 workshop on MX data collection and structure solution, to be held at Diamond Light Source, UK from the 2nd to the 9th December (with accommodation from the 1st). This course offers the opport

[ccp4bb] Grenoble-based joint appointment in cryo electron microscopy

2018-09-19 Thread Trevor Forsyth
A tenure-track research lectureship has been created in the general area of macromolecular structure, with a particular focus on the linkup between neutron scattering approaches and state-of-the-art atomic resolution cryo-electron microscopy. The post is funded jointly by Keele University and t

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-19 Thread Frank von Delft
Hi Stefano - could you elaborate? Certainly the medicinal chemists go on a great deal about how deltaH balances deltaS and how it's bloody hard to know what is what even when you try to measure it.  Which is what that abstract also goes on about. On 19/09/2018 10:54, Stefano Trapani wrote:

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-19 Thread Stefano Trapani
Le 2018-09-19 11:59, Frank von Delft a écrit : > I believe medicinal chemists do indeed talk about "enthalpic interactions". > Frank Not a good choice either (à mon avis ...)   THE REAL REASON WHY OIL AND WATER DON'T MIX Todd P. Silverstein Journal of Chemical Education 1998 _75_ (1), 1

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-19 Thread Frank von Delft
I believe medicinal chemists do indeed talk about "enthalpic interactions".  Frank On 19/09/2018 10:40, Stefano Trapani wrote: Le 2018-09-18 19:31, Daniel M. Himmel, Ph. D. a écrit : (where hydrophobic interactions result from van der Waals forces in an aqueous environment). Hi I am not

Re: [ccp4bb] collective term for hydrogen bonds and salt bridges

2018-09-19 Thread Stefano Trapani
Le 2018-09-18 19:31, Daniel M. Himmel, Ph. D. a écrit : > (where hydrophobic interactions result from van der Waals forces in an > aqueous environment). Hi I am not sure that, if one is to give a concise definition of hydrophobic "interactions", this would be a convenient one, because it m