Re: [ccp4bb] Best 3D stereo combination for Mac OS X today
Dear Warren and Danny, I was also surprised that the configuration of the new Mac Pros doesn't offer a Quadro graphics card anymore. However, Apple still sells an NVIDIA Quadro 4800 for Mac. Best regards, Dirk. Am 01.07.2009 um 00:25 schrieb Warren DeLano: Danny, Last I checked, Apple dropped the Quadro option from the Mac Pro, and a quick check on Apple.com seems to confirm that: http://store.apple.com/us_smb_78313/browse/home/shop_mac/family/ mac_pro Lacking indications to the contrary, we can only conclude that OpenGL stereo 3D support has an uncertain future on the Mac, whereas nVidia appears fully committed to supporting it under Windows XP, Vista, and Linux. 120 Hz LCDs are very close to being, but are not quite yet, a viable option. Hopelly that will change in a matter of weeks, however, they will likely require a quadro card, 3D vision emitter, and an appropriate driver from nVidia. Mac support for 120 Hz seems unlikely unless nVidia and Apple deliberately get together to create a joint solution. Due to proprietary aspects of each component (Mac OpenGL drivers, nVidia emitters), this isn't something either Apple or nVidia could accomplish alone. Zalman LCDs can do stereo 3D (with reduced vertical resolution) but they require software modifications or a Quadro card with the updated windows or linux driver. Not all software packages support the Zalman display on the Mac yet. My view is this: if having the best stereo 3D is important, then go Linux or Windows -- but wait until the 120 LCD solution is released by nVidia. If having a Mac is important, then expect limited access to stereo 3D technologies. Cheers, Warren -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Danny G Smith Sent: Tuesday, June 30, 2009 2:59 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Best 3D stereo combination for Mac OS X today I need to order a new computer for an investigator to replace a very old SGI. They already have a lot of Mac experience, that that would make an easy transition. They will primarily be using CCP4, CNS, and Main. At this point in time what is the best video card monitor combination, I assume a crt, or has any lcd come far enough to work ok? I have looked at video cards, and apple has a PNY Nvidia Quadro FX 4800 for Mac but it is pricey. Will any other work? Thanks in advance. Danny G Smith *** Dirk Kostrewa Gene Center, A 5.07 Ludwig-Maximilians-University Feodor-Lynen-Str. 25 81377 Munich Germany Phone: +49-89-2180-76845 Fax:+49-89-2180-76999 E-mail: kostr...@genzentrum.lmu.de WWW:www.genzentrum.lmu.de ***
Re: [ccp4bb] Best 3D stereo combination for Mac OS X today
Danny, Thank you (and Harry and Dirk) for pointing out the after-market PNY card -- I wasn't aware of that option. However, it is worth noting that PC users can access stereo 3D (via 3D Vision IR emitter glasses) with a $139 Quadro 300-series card whereas Mac users must spend 12X more for an ultra high-end 4000-series card (which will only work IF they happen to own a compatible Mac Pro model). Unfortunately, all the GPU power of an expensive ultra-high-end-card provides little (if any) benefit if all you're running is Coot, PyMOL, CCP4mg... Anyway, my point is that there is presently a significant (and possibly increasing) lack of parity for the Mac versus the other platforms with respect to stereo 3D. Furthermore, because of nVidia's introduction of their proprietary USB-based emitter (which syncs the 120 Hz LCDs), it isn't yet clear whether or these displays will work only on Windows, only on Windows and Linux, or indeed across all three platforms. Personally, I would want to know the answer to that question before spending $4-6k+ USD on a Quadro-equipped Mac Pro! Cheers, Warren -Original Message- From: Danny Smith [mailto:smi...@omrf.ouhsc.edu] Sent: Tue 6/30/2009 4:03 PM To: Warren DeLano Cc: Danny G Smith; CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Best 3D stereo combination for Mac OS X today Warren, Thank you very much for the quick reply. I didn't see it directly with the mac, but this link still has it at the store, http://store.apple.com/AppleStore/WebObjects/BusinessCustom.woa/9554008/wa/PSLIDfind=Quadro+FX+4800+for+Macwosid=7Q4ITeYWEwd92YhZCy32JoVJnH4 . It is very expensive at $1,746.00. I also found this link, http://www3.pny.com/NVIDIA-Quadro-FX-4800-For-Mac-P2815C409.aspx . It looks like on that page that it is tested with Mac OS X v10.5.7, on MacPro3,1 or MacPro4,1 or later - Note: MacPro1,1 and MacPro2,1 are not compatible. I was just hoping to find a cheaper card. It does make me want to do more research with our sales rep. thanks, Danny G. Smith Sr. Programmer / Analyst Oklahoma Medical Research Foundation 825 N.E. 13th Street M.S. 11, Room E210.1 Oklahoma City, OK 73104 Phone: (405)271-8001 ext. 35535 Cell: (405)-202-6691 On Jun 30, 2009, at 5:25 PM, Warren DeLano wrote: Danny, Last I checked, Apple dropped the Quadro option from the Mac Pro, and a quick check on Apple.com seems to confirm that: http://store.apple.com/us_smb_78313/browse/home/shop_mac/family/ mac_pro Lacking indications to the contrary, we can only conclude that OpenGL stereo 3D support has an uncertain future on the Mac, whereas nVidia appears fully committed to supporting it under Windows XP, Vista, and Linux. 120 Hz LCDs are very close to being, but are not quite yet, a viable option. Hopelly that will change in a matter of weeks, however, they will likely require a quadro card, 3D vision emitter, and an appropriate driver from nVidia. Mac support for 120 Hz seems unlikely unless nVidia and Apple deliberately get together to create a joint solution. Due to proprietary aspects of each component (Mac OpenGL drivers, nVidia emitters), this isn't something either Apple or nVidia could accomplish alone. Zalman LCDs can do stereo 3D (with reduced vertical resolution) but they require software modifications or a Quadro card with the updated windows or linux driver. Not all software packages support the Zalman display on the Mac yet. My view is this: if having the best stereo 3D is important, then go Linux or Windows -- but wait until the 120 LCD solution is released by nVidia. If having a Mac is important, then expect limited access to stereo 3D technologies. Cheers, Warren -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Danny G Smith Sent: Tuesday, June 30, 2009 2:59 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Best 3D stereo combination for Mac OS X today I need to order a new computer for an investigator to replace a very old SGI. They already have a lot of Mac experience, that that would make an easy transition. They will primarily be using CCP4, CNS, and Main. At this point in time what is the best video card monitor combination, I assume a crt, or has any lcd come far enough to work ok? I have looked at video cards, and apple has a PNY Nvidia Quadro FX 4800 for Mac but it is pricey. Will any other work? Thanks in advance. Danny G Smith
[ccp4bb] Best 3D stereo combination for Linux
Sorry this has probably come up already, but we're about to become desperate for a new stereo-capable machine, to be attached to an existing linux server. Is there a currently proven-to-work LCD stereo system for linux that works with Coot and/or O as well as pymol? Or should we recycle the aging old-fashioned monitors for now? We don't have the time/personnel to do a lot of customizing and tweaking. Phoebe Original message Date: Wed, 1 Jul 2009 01:31:12 -0700 From: Warren DeLano war...@delsci.com Subject: Re: [ccp4bb] Best 3D stereo combination for Mac OS X today To: CCP4BB@JISCMAIL.AC.UK Danny, Thank you (and Harry and Dirk) for pointing out the after-market PNY card -- I wasn't aware of that option. However, it is worth noting that PC users can access stereo 3D (via 3D Vision IR emitter glasses) with a $139 Quadro 300-series card whereas Mac users must spend 12X more for an ultra high-end 4000-series card (which will only work IF they happen to own a compatible Mac Pro model). Unfortunately, all the GPU power of an expensive ultra-high-end-card provides little (if any) benefit if all you're running is Coot, PyMOL, CCP4mg... Anyway, my point is that there is presently a significant (and possibly increasing) lack of parity for the Mac versus the other platforms with respect to stereo 3D. Furthermore, because of nVidia's introduction of their proprietary USB-based emitter (which syncs the 120 Hz LCDs), it isn't yet clear whether or these displays will work only on Windows, only on Windows and Linux, or indeed across all three platforms. Personally, I would want to know the answer to that question before spending $4-6k+ USD on a Quadro-equipped Mac Pro! Cheers, Warren -Original Message- From: Danny Smith [mailto:smi...@omrf.ouhsc.edu] Sent: Tue 6/30/2009 4:03 PM To: Warren DeLano Cc: Danny G Smith; CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Best 3D stereo combination for Mac OS X today Warren, Thank you very much for the quick reply. I didn't see it directly with the mac, but this link still has it at the store, http://store.apple.com/AppleStore/WebObjects/BusinessCustom.woa/9554008/wa/PSLIDfind=Quadro+FX+4800+for+Macwosid=7Q4ITeYWEwd92YhZCy32JoVJnH4 . It is very expensive at $1,746.00. I also found this link, http://www3.pny.com/NVIDIA-Quadro-FX-4800-For-Mac-P2815C409.aspx . It looks like on that page that it is tested with Mac OS X v10.5.7, on MacPro3,1 or MacPro4,1 or later - Note: MacPro1,1 and MacPro2,1 are not compatible. I was just hoping to find a cheaper card. It does make me want to do more research with our sales rep. thanks, Danny G. Smith Sr. Programmer / Analyst Oklahoma Medical Research Foundation 825 N.E. 13th Street M.S. 11, Room E210.1 Oklahoma City, OK 73104 Phone: (405)271-8001 ext. 35535 Cell: (405)-202-6691 On Jun 30, 2009, at 5:25 PM, Warren DeLano wrote: Danny, Last I checked, Apple dropped the Quadro option from the Mac Pro, and a quick check on Apple.com seems to confirm that: http://store.apple.com/us_smb_78313/browse/home/shop_mac/family/ mac_pro Lacking indications to the contrary, we can only conclude that OpenGL stereo 3D support has an uncertain future on the Mac, whereas nVidia appears fully committed to supporting it under Windows XP, Vista, and Linux. 120 Hz LCDs are very close to being, but are not quite yet, a viable option. Hopelly that will change in a matter of weeks, however, they will likely require a quadro card, 3D vision emitter, and an appropriate driver from nVidia. Mac support for 120 Hz seems unlikely unless nVidia and Apple deliberately get together to create a joint solution. Due to proprietary aspects of each component (Mac OpenGL drivers, nVidia emitters), this isn't something either Apple or nVidia could accomplish alone. Zalman LCDs can do stereo 3D (with reduced vertical resolution) but they require software modifications or a Quadro card with the updated windows or linux driver. Not all software packages support the Zalman display on the Mac yet. My view is this: if having the best stereo 3D is important, then go Linux or Windows -- but wait until the 120 LCD solution is released by nVidia. If having a Mac is important, then expect limited access to stereo 3D technologies. Cheers, Warren -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Danny G Smith Sent: Tuesday, June 30, 2009 2:59 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Best 3D stereo combination for Mac OS X today I need to order a new computer
Re: [ccp4bb] Best 3D stereo combination for Linux
Warren: why should a 120 Hz LCD monitor with the nVidia USB emitter/glasses require a Quadro card? The system requirements for GeForce 3D Vision on Windows lists many GeForce cards as being supported: http://www.nvidia.com/object/GeForce_3D_Vision_Requirements.html GeForce GTX 200 series ... Geforce 9 series ... Geforce 8 series ... I should think it unlikely that the hardware requirements under Linux or MacOS would differ drastically, if and when those OSes are covered by a driver. - === You can't possibly be a scientist if you mind people thinking that you're a fool. - Wonko the Sane === David J. Schuller modern man in a post-modern world MacCHESS, Cornell University schul...@cornell.edu Original message Date: Wed, 1 Jul 2009 01:31:12 -0700 From: Warren DeLano war...@delsci.com Subject: Re: [ccp4bb] Best 3D stereo combination for Mac OS X today To: CCP4BB@JISCMAIL.AC.UK Danny, Thank you (and Harry and Dirk) for pointing out the after-market PNY card -- I wasn't aware of that option. However, it is worth noting that PC users can access stereo 3D (via 3D Vision IR emitter glasses) with a $139 Quadro 300-series card whereas Mac users must spend 12X more for an ultra high-end 4000-series card (which will only work IF they happen to own a compatible Mac Pro model). Unfortunately, all the GPU power of an expensive ultra-high-end-card provides little (if any) benefit if all you're running is Coot, PyMOL, CCP4mg... Anyway, my point is that there is presently a significant (and possibly increasing) lack of parity for the Mac versus the other platforms with respect to stereo 3D. Furthermore, because of nVidia's introduction of their proprietary USB-based emitter (which syncs the 120 Hz LCDs), it isn't yet clear whether or these displays will work only on Windows, only on Windows and Linux, or indeed across all three platforms. Personally, I would want to know the answer to that question before spending $4-6k+ USD on a Quadro-equipped Mac Pro! Cheers, Warren -Original Message- From: Danny Smith [mailto:smi...@omrf.ouhsc.edu] Sent: Tue 6/30/2009 4:03 PM To: Warren DeLano Cc: Danny G Smith; CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Best 3D stereo combination for Mac OS X today Warren, Thank you very much for the quick reply. I didn't see it directly with the mac, but this link still has it at the store, http://store.apple.com/AppleStore/WebObjects/BusinessCustom.woa/9554008/wa/PSLIDfind=Quadro+FX+4800+for+Macwosid=7Q4ITeYWEwd92YhZCy32JoVJnH4 . It is very expensive at $1,746.00. I also found this link, http://www3.pny.com/NVIDIA-Quadro-FX-4800-For-Mac-P2815C409.aspx . It looks like on that page that it is tested with Mac OS X v10.5.7, on MacPro3,1 or MacPro4,1 or later - Note: MacPro1,1 and MacPro2,1 are not compatible. I was just hoping to find a cheaper card. It does make me want to do more research with our sales rep. thanks, Danny G. Smith Sr. Programmer / Analyst Oklahoma Medical Research Foundation 825 N.E. 13th Street M.S. 11, Room E210.1 Oklahoma City, OK 73104 Phone: (405)271-8001 ext. 35535 Cell: (405)-202-6691 On Jun 30, 2009, at 5:25 PM, Warren DeLano wrote: Danny, Last I checked, Apple dropped the Quadro option from the Mac Pro, and a quick check on Apple.com seems to confirm that: http://store.apple.com/us_smb_78313/browse/home/shop_mac/family/ mac_pro Lacking indications to the contrary, we can only conclude that OpenGL stereo 3D support has an uncertain future on the Mac, whereas nVidia appears fully committed to supporting it under Windows XP, Vista, and Linux. 120 Hz LCDs are very close to being, but are not quite yet, a viable option. Hopelly that will change in a matter of weeks, however, they will likely require a quadro card, 3D vision emitter, and an appropriate driver from nVidia. Mac support for 120 Hz seems unlikely unless nVidia and Apple deliberately get together to create a joint solution. Due to proprietary aspects of each component (Mac OpenGL drivers, nVidia emitters), this isn't something either Apple or nVidia could accomplish alone. Zalman LCDs can do stereo 3D (with reduced vertical resolution) but they require software modifications or a Quadro card with the updated windows or linux
[ccp4bb] dial box
Dear all, does someone still have a couple of functional dial boxes and wants to sell them? I guess one cannot buy them anymore?! Thanks, Tobias
Re: [ccp4bb] Best 3D stereo combination for Linux
David, Warren: why should a 120 Hz LCD monitor with the nVidia USB emitter/glasses require a Quadro card? The system requirements for GeForce 3D Vision on Windows lists many GeForce cards as being supported: Because if you dig a bit deeper, you'll discover that GeForce cards only support full-screen, DirectX-based stereo 3D -- that works for Windows-only games and movies, but it doesn't work at all for cross-platform scientific applications written in OpenGL. Please understand that, for presumed business reasons, nVidia has for years maintained a policy that OpenGL quad-buffer stereo 3D requires a Quadro card. ATI has done exactly the same thing with the FireGL. This isn't so much about innate hardware limitations, but rather reflects deliberate market segmentation enforced at the driver level. It is what it is, and as far as I know, nVidia's policy has not changed. But today the situation is further complicated by the fact that synchronization for 120 Hz LCDs requires not only driver cooperation, but also a new USB-based IR-sync emitter, which itself requires a new proprietary driver also controlled by nVidia. (FYI: The analog stereo 3D sync signal / DIN connector used for CRTs and projectors has proven not to work for digital 120 Hz LCDs). I should think it unlikely that the hardware requirements under Linux or MacOS would differ drastically, if and when those OSes are covered by a driver. Sure, but assuming nVidia's policy remains unchanged, then you should reasonably expect nVidia's 3D Vision drivers to only enable OpenGL stereo 3D on Quadro cards *if* such drivers are eventually released for the Mac. That is how things have always worked on Windows and Linux, so why would nVidia's rules for the Mac be any different? But even if 3D Vision driver support were available for the Mac (and so far, no such intent-to-support has even been announced), the only Quadro option available for the Mac costs $1,600 more than an entry-level Quadro card for Windows or Linux. Cheers, Warren -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of David J. Schuller Sent: Wednesday, July 01, 2009 9:30 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Best 3D stereo combination for Linux Warren: why should a 120 Hz LCD monitor with the nVidia USB emitter/glasses require a Quadro card? The system requirements for GeForce 3D Vision on Windows lists many GeForce cards as being supported: http://www.nvidia.com/object/GeForce_3D_Vision_Requirements.html GeForce GTX 200 series ... Geforce 9 series ... Geforce 8 series ... I should think it unlikely that the hardware requirements under Linux or MacOS would differ drastically, if and when those OSes are covered by a driver. - === You can't possibly be a scientist if you mind people thinking that you're a fool. - Wonko the Sane === David J. Schuller modern man in a post-modern world MacCHESS, Cornell University schul...@cornell.edu Original message Date: Wed, 1 Jul 2009 01:31:12 -0700 From: Warren DeLano war...@delsci.com Subject: Re: [ccp4bb] Best 3D stereo combination for Mac OS X today To: CCP4BB@JISCMAIL.AC.UK Danny, Thank you (and Harry and Dirk) for pointing out the after-market PNY card -- I wasn't aware of that option. However, it is worth noting that PC users can access stereo 3D (via 3D Vision IR emitter glasses) with a $139 Quadro 300-series card whereas Mac users must spend 12X more for an ultra high-end 4000-series card (which will only work IF they happen to own a compatible Mac Pro model). Unfortunately, all the GPU power of an expensive ultra-high-end-card provides little (if any) benefit if all you're running is Coot, PyMOL, CCP4mg... Anyway, my point is that there is presently a significant (and possibly increasing) lack of parity for the Mac versus the other platforms with respect to stereo 3D. Furthermore, because of nVidia's introduction of their proprietary USB-based emitter (which syncs the 120 Hz LCDs), it isn't yet clear whether or these displays will work only on Windows, only on Windows and Linux, or indeed across all three platforms. Personally, I would want to know the answer to that question before spending $4-6k+ USD on a Quadro-equipped Mac Pro! Cheers, Warren -Original Message- From: Danny Smith [mailto:smi...@omrf.ouhsc.edu] Sent: Tue 6/30/2009 4:03 PM To: Warren DeLano Cc: Danny G Smith; CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Best 3D stereo combination for
Re: [ccp4bb] dial box
I have a few of these if people are interested. Please just let me know off list. The ones I have are the 8 dial boxes connected to an old SGI workstation (they work in linux as well I believe - with O). I simply don't use these anymore and wouldn't mind parting with them. Thanks Dave Tobias Krojer tobias.kro...@sgc.ox.ac.uk 07/01/09 1:19 PM Dear all, does someone still have a couple of functional dial boxes and wants to sell them? I guess one cannot buy them anymore?! Thanks, Tobias
[ccp4bb] low UV reading on AKTA prime
Hi all, We recently got low UV reading on our AKTA prime. We contacted GE healthcare, but was told that the UV reading on AKTA prime should be 20% of the spectrometer reading, because the path length of the flow cell of AKTA prime is only 2 mm (20% of the pathlength of a spectrometer cuvette). I am not sure whether that is the case, but we used to get much higher UV readings on the same AKTA prime (almost the same as the spectrometer reading). The UV reading just keeps dropping over time in the past several months. Here I have two questions. First, should the UV reading on AKTA prime be 20% of the spectrometer reading? Second, what could go wrong with our AKTA prime? (I know it is not the lamp, because we put in a new lamp and it didn't solve the problem) Thanks a lot! Matt
Re: [ccp4bb] low UV reading on AKTA prime
Hi Matt, Check to make sure the A280 filter is clean. Ours was filthy. You might need to replace this (~$350). We were experiencing the same thing you mentioned and just had the GE technician out today. Also, make sure the A280 dial is set correctly on the lamp. Please check the manual for guidance. Best, Scott - Original Message - From: Matt Colins matt.colins2...@yahoo.com Date: Wednesday, July 1, 2009 4:40 pm Subject: [ccp4bb] low UV reading on AKTA prime To: CCP4BB@JISCMAIL.AC.UK Hi all, We recently got low UV reading on our AKTA prime. We contacted GE healthcare, but was told that the UV reading on AKTA prime should be 20% of the spectrometer reading, because the path length of the flow cell of AKTA prime is only 2 mm (20% of the pathlength of a spectrometer cuvette). I am not sure whether that is the case, but we used to get much higher UV readings on the same AKTA prime (almost the same as the spectrometer reading). The UV reading just keeps dropping over time in the past several months. Here I have two questions. First, should the UV reading on AKTA prime be 20% of the spectrometer reading? Second, what could go wrong with our AKTA prime? (I know it is not the lamp, because we put in a new lamp and it didn't solve the problem) Thanks a lot! Matt
Re: [ccp4bb] low UV reading on AKTA prime
I second Scott's post. About the only problem we've had with our Akta instruments is this type of degradation of the filter. I'm not sure what the mechanism is, but the filters do seem to crap out after a while, at least in the cold room (oxidation? I have no idea of what the filter is made of...). Pat On 1 Jul 2009, at 5:07 PM, Scott Walsh wrote: Hi Matt, Check to make sure the A280 filter is clean. Ours was filthy. You might need to replace this (~$350). We were experiencing the same thing you mentioned and just had the GE technician out today. Also, make sure the A280 dial is set correctly on the lamp. Please check the manual for guidance. Best, Scott - Original Message - From: Matt Colins matt.colins2...@yahoo.com Date: Wednesday, July 1, 2009 4:40 pm Subject: [ccp4bb] low UV reading on AKTA prime To: CCP4BB@JISCMAIL.AC.UK Hi all, We recently got low UV reading on our AKTA prime. We contacted GE healthcare, but was told that the UV reading on AKTA prime should be 20% of the spectrometer reading, because the path length of the flow cell of AKTA prime is only 2 mm (20% of the pathlength of a spectrometer cuvette). I am not sure whether that is the case, but we used to get much higher UV readings on the same AKTA prime (almost the same as the spectrometer reading). The UV reading just keeps dropping over time in the past several months. Here I have two questions. First, should the UV reading on AKTA prime be 20% of the spectrometer reading? Second, what could go wrong with our AKTA prime? (I know it is not the lamp, because we put in a new lamp and it didn't solve the problem) Thanks a lot! Matt --- Patrick J. Loll, Ph. D. Professor of Biochemistry Molecular Biology Director, Biochemistry Graduate Program Drexel University College of Medicine Room 10-102 New College Building 245 N. 15th St., Mailstop 497 Philadelphia, PA 19102-1192 USA (215) 762-7706 pat.l...@drexelmed.edu
[ccp4bb] space group R32: H settings
Dear All: I think this is an old topic. But I could not find the previous discussion about it. Therefore, I am asking for your help again here. My data were processed as primitive rhombohedral R32 using HKL2000. If I am not wrong, each (h, k, l ) in the .sca file was indexed in the H settings, revealed by the .x file of each images. The cell dimensions given in the head of .sca file were a little interesting: 1 -985 60.01 60.01 120.34 90 90 120 r32 I read the HKL2000 manual. It is indeed the R32 space group given in H settings(space group number 155). However, when I imported .sca file into ccp4, here came a failure: error in space group or cell dimensions. Then I checked the symop.ilb file in ccp4-6.0.2. The primitive rhombohedral in H setting was defined as H32 with 18 symmetric points. I can let the scalepack2MTZ work just by typing the space group as H32. I am not sure whether this is a correct way to import the data because when I was running ShelxC/D/E in ccp4 directly using data in scalepack format, the symmetry was not right in the logfile. Can somebody give some guidance here? Thanks a million. Jerry McCully _ Hotmail® has ever-growing storage! Don’t worry about storage limits. http://windowslive.com/Tutorial/Hotmail/Storage?ocid=TXT_TAGLM_WL_HM_Tutorial_Storage_062009
Re: [ccp4bb] space group R32: H settings
Why are you running shelxc/d/e from ccp4? If you run them directly from a short script or using the hkl2map GUI from Thomas Schneider, there is no problem reading such a .sca file correctly (I have just checked it with another structure in the same space group). Since there is some confusion about whether to call the space group R32 or H32, shelxc simply checks the cell dimensions to see which setting it really is. George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Wed, 1 Jul 2009, Jerry McCully wrote: Dear All: I think this is an old topic. But I could not find the previous discussion about it. Therefore, I am asking for your help again here. My data were processed as primitive rhombohedral R32 using HKL2000. If I am not wrong, each (h, k, l ) in the .sca file was indexed in the H settings, revealed by the .x file of each images. The cell dimensions given in the head of .sca file were a little interesting: 1 -985 60.01 60.01 120.34 90 90 120 r32 I read the HKL2000 manual. It is indeed the R32 space group given in H settings(space group number 155). However, when I imported .sca file into ccp4, here came a failure: error in space group or cell dimensions. Then I checked the symop.ilb file in ccp4-6.0.2. The primitive rhombohedral in H setting was defined as H32 with 18 symmetric points. I can let the scalepack2MTZ work just by typing the space group as H32. I am not sure whether this is a correct way to import the data because when I was running ShelxC/D/E in ccp4 directly using data in scalepack format, the symmetry was not right in the logfile. Can somebody give some guidance here? Thanks a million. Jerry McCully _ Hotmail® has ever-growing storage! Don’t worry about storage limits. http://windowslive.com/Tutorial/Hotmail/Storage?ocid=TXT_TAGLM_WL_HM_Tutorial_Storage_062009
[ccp4bb] repeated spamming of list members
I've been getting multiple spams with subject line Offer microorganisms for investigation along with others who are on the ccp4bb list. The sender has a gmail account. You can complain here if you are getting these too: http://mail.google.com/support/bin/request.py?contact_type=abuse_phishing
[ccp4bb] multi-domain protein with identical tertiary structure
Dear CCP4 users, Is there any multi-domain protein (with at least two domains) which has identical tertiary structure of each domain ? Thanking you. -regards shankar
