Re: [ccp4bb] RES: [ccp4bb] Macromolecular Crystallography workshop in South America 2020

2020-07-23 Thread Marko Hyvönen
Very well said Frank. And if the meeting really needs (why?) that regular dude to appear, they can give a 20 min intro (same slides as last year, no doubt) and share the lectern with a  student / postdoc who presents the new science. Marko On 24 Jul 2020, 07:17, at 07:17, Frank von Delft wrot

Re: [ccp4bb] RES: [ccp4bb] Macromolecular Crystallography workshop in South America 2020

2020-07-23 Thread Frank von Delft
Thanks Stephen for reminding me there's a point no-one raised at the time: There are two sets of people that have agency in this:  1) the organisers, and 2) the ones that get the invites. Group 1 already have a tough job:  organising a meeting is a pile of work - so go easy on them.  (Or orga

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread LMB
... and don’t forget the Mg++ ion Sent from my iPad > On 23 Jul 2020, at 20:10, LMB wrote: > > One way of approaching such modelling uncertainties is to build explicitly a > number of likely models, refine them and examine the difference maps > carefully to see whether you can convince your

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread LMB
One way of approaching such modelling uncertainties is to build explicitly a number of likely models, refine them and examine the difference maps carefully to see whether you can convince yourself that one model is clearly better than the others. At least then you will know whether the alternati

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread Andrew Leslie
Dear Reza, I would back Jon’s idea of looking at homologues, although this does depend on how close the homologue is. For example, if your protein has a “P” loop, with the Walker A sequence motif, then I think it would be very surprising if the nucleotide bound in different wa

[ccp4bb] Power supply for a Phillips CM10 Electron Microscope?

2020-07-23 Thread Jan van Agthoven
Dear all, We’re looking for a 24 h.t. and 24 fil. power supply for a Phillips CM10 Electron Microscope. Does anyone know how to get such component separately? Used is fine too. Thanks, J. To unsubscribe from the CCP4BB list

[ccp4bb] Two scientist / software developer positions on neutron diffraction at RAL

2020-07-23 Thread David Waterman
Dear all, The STFC Scientific Computing Department and ISIS neutron source are looking for two programmer scientists, who will develop the next generation of single-crystal neutron diffraction analysis software for the time-of-flight technique. The software will extend the DIALS data processing pa

[ccp4bb] Postdoc opportunity at SGC-Toronto

2020-07-23 Thread Levon Halabelian
Hi all, The SGC-Toronto crystallography group is looking for a postdoctoral fellow. Details can be found in the following link: https://www.thesgc.org/careers/toronto/sgc-toronto-postdoctoral-position-structural-biology Regards, Levon ##

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread Reza Khayat
Tried the homologues thing. There are homologues and I've done the fitting, but this is what I consider to be subjective. I'm certain the referee will ask: Given the quality of density for the nucleotide, how certain are the authors that a different fit is not possible? Have other fit poses been

Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread Jon Cooper
Hello, do you have any homologues in the PDB with ATP, etc, bound as a guide? Coot is pretty good at fitting known ligands, and unknown ones, too! Original Message On 23 Jul 2020, 17:53, Reza Khayat wrote: > Hi, > > Can folks suggest programs for objectively docking ATP/ADP mol

[ccp4bb] Modeling ATP/ADP

2020-07-23 Thread Reza Khayat
Hi, Can folks suggest programs for objectively docking ATP/ADP molecules into density? Our density is not so good, probably because of occupancy, and we'd like a less subjecting approach for modeling. Thanks. Best wishes, Reza Reza Khayat, PhD Assistant Professor City College of New York De

Re: [ccp4bb] RES: [ccp4bb] Macromolecular Crystallography workshop in South America 2020

2020-07-23 Thread Stephen Curry
It has been on my mind to respond to this thread since I was made aware of it in late February. Not because I regard myself as any sort of sage on these matters, but because I received a phone call from someone asking me to speak out. This person did not want to give her name and or to go into s

[ccp4bb] Multiple Postdoctoral Fellowships available at the “Multiscale Research Institute for Complex Systems” at Fudan University of Shanghai

2020-07-23 Thread lyguo
The Multiscale Research Institute for Complex Systems (MRICS) at Fudan University is located at the Zhangjiang Campus of Fudan University and is supported by the Shanghai High-level Talents Program. MRICS is strongly committed to the development of novel and effective multi-scale imaging techn