Re: [ccp4bb] Question about small molecule crystallography

2020-06-08 Thread Winter, Graeme (DLSLtd,RAL,LSCI)
Hi Jon Ambiguous phrasing, perhaps - the detector has a maximum count rate, as events per second, and it is easy to exceed this with a good quality small molecule crystal on an undulator beamline thus under record the intensity of strong reflections Best wishes Graeme On 8 Jun 2020, at

Re: [ccp4bb] Question about small molecule crystallography

2020-06-08 Thread 00000c2488af9525-dmarc-request
Re: "it turns out to be very very easy to exceed the count rate where the detector electronics can keep up."Sorry if this is obvious, but I take it you mean "_can't_" keep up?Jon CooperOn 4 Jun 2020 13:06, "Winter, Graeme (DLSLtd,RAL,LSCI)" wrote: Dear All, A small word of caution regarding

Re: [ccp4bb] [EXTERNAL] [ccp4bb] CCP4I2: non standard ssh port for remote jobs

2020-06-08 Thread Edward Berry
>>> Michael Weyand 06/08/20 12:40 PM >>> Dear CCP4I2 experts, I'm trying to submit remote jobs via SSH within CCP4i2. Unfortunately, we use a non standard SSH port. So far, I'm not able to add any option within the CCP4I2 interface. For job submission, I need something to do like 'ssh -p

Re: [ccp4bb] Any advice on specs for a new Mac Laptop to run CCP4 and other Xtal Software?

2020-06-08 Thread Goldman, Adrian
I tend to agree - though I am still using a 15” machine myself - the lab has 13” machines and at their desks they have a big monitor as well. Adrian > On 8 Jun 2020, at 17:37, Harry Powell - CCP4BB > <193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote: > > Hi > > I’d make the decision

Re: [ccp4bb] CCP4I2: non standard ssh port for remote jobs

2020-06-08 Thread Christian Becke
Dear Michael, I've been playing around a bit with remote job submission via SSH in CCP4 7.0. I remember I had to patch some files and upgraded a python lib to add support for ED25519 keys and to allow passing non-standard ports through the GUI. I never got around to wrap this up and forward

[ccp4bb] CCP4I2: non standard ssh port for remote jobs

2020-06-08 Thread Michael Weyand
Dear CCP4I2 experts, I'm trying to submit remote jobs via SSH within CCP4i2. Unfortunately, we use a non standard SSH port. So far, I'm not able to add any option within the CCP4I2 interface. For job submission, I need something to do like 'ssh -p X -Y . ccp4i-specific-command ...'. Is

Re: [ccp4bb] Any advice on specs for a new Mac Laptop to run CCP4 and other Xtal Software?

2020-06-08 Thread Harry Powell - CCP4BB
Hi I’d make the decision based largely on where I was going to use it, and how much I was going to have to carry it (and if I ever wanted to use it in coach class). If it was going to be my machine for “on the road”, I’d go for the 13” one, but if it was going to sit on my desk most of the

Re: [ccp4bb] Any advice on specs for a new Mac Laptop to run CCP4 and other Xtal Software?

2020-06-08 Thread Diana Tomchick
Make sure the 13” display is large enough to display all the GUIs for program suites that you are interested in. For example, in the past, the 13” Mac laptops couldn’t display the HKL2000 GUI. Requirements are found here: https://hkl-xray.com/hardware-operating-systems Diana

[ccp4bb] Any advice on specs for a new Mac Laptop to run CCP4 and other Xtal Software?

2020-06-08 Thread Scott Pegan
Finally looking to replace my 2014 Mac Pro lap (duo core; 16 gb RAM. I would welcome any input or being put in the direction of some related to the following: 13" versus 16" I know the 16" has a better and standalone GPU. Is there anyone using a 13" that finds that it works well? If so, what

[ccp4bb] Canceled: [ccp4bb] Cryo-EM for Drug Discovery | Virtual event | June 16, 2020

2020-06-08 Thread Jorg Stetefeld
BEGIN:VCALENDAR METHOD:CANCEL PRODID:Microsoft Exchange Server 2010 VERSION:2.0 BEGIN:VTIMEZONE TZID:Central Standard Time BEGIN:STANDARD DTSTART:16010101T02 TZOFFSETFROM:-0500 TZOFFSETTO:-0600 RRULE:FREQ=YEARLY;INTERVAL=1;BYDAY=1SU;BYMONTH=11 END:STANDARD BEGIN:DAYLIGHT

[ccp4bb] Cryo-EM for Drug Discovery | Virtual event | June 16, 2020

2020-06-08 Thread Jorg Stetefeld
BEGIN:VCALENDAR METHOD:REQUEST PRODID:Microsoft Exchange Server 2010 VERSION:2.0 BEGIN:VTIMEZONE TZID:Central Standard Time BEGIN:STANDARD DTSTART:16010101T02 TZOFFSETFROM:-0500 TZOFFSETTO:-0600 RRULE:FREQ=YEARLY;INTERVAL=1;BYDAY=1SU;BYMONTH=11 END:STANDARD BEGIN:DAYLIGHT

Re: [ccp4bb] Crosslinking software doubt

2020-06-08 Thread Georg Mlynek
Dear Jesus, you should look at https://www.rappsilberlab.org/software/ or https://www.maxquant.org/ Altough there have been huge strides in recent years in software development, XL-MS data processing need still some effort. Br, Georg. Am 2020-06-08 um 9:48 AM schrieb JESUS BALTANAS

[ccp4bb] Cryo-EM for Drug Discovery | Virtual event | June 16, 2020

2020-06-08 Thread H. Raaijmakers
Cryo-EM for Drug Discovery | June 16, 2020 What if you could get structural insights at near-atomic resolution of your most challenging drug targets at a pace that meets that of your drug discovery projects? >From around the world you are invited to join Thermo Fisher Scientific for Cryo-EM

Re: [ccp4bb] Crosslinking software doubt

2020-06-08 Thread Eleanor Dodson
Well - there is a CCP4 program seqwt which will give the molecular weight of the given sequence (s). You say you know the molecular weight of the crosslink and of the whole complex.. But then I dont know of any software which can predict the composition - I think you will have to do the arithmetic

[ccp4bb] Crosslinking software doubt

2020-06-08 Thread JESUS BALTANAS COPADO
Hi all! I am new in crosslinking,  We performed in our group some time ago crosslinking, and need help with the data processing. We only have available the molecular weight of the crosslinked peptides, so the idea would be to find a free sofware in which you could enter the whole

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

2020-06-08 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