Re: [ccp4bb] elusive DNA density

2007-11-06 Thread Das, Debanu
Hi, >(1) Does the DNA density I saw in the cases where I use models with DNA for >MR/rigid body fitting only reflect model bias? If your DNA density is becoming poor as your refine, it is quite likely that the initial DNA density you are observing after MR is model bias due to inclusion of

[ccp4bb] elusive DNA density

2007-11-06 Thread Melody Lin
Dear all, I've been working on a series of DNA-protein complex structures. In my recently acquired data sets, I got almost no density for DNA if I do molecular replacement or rigid body fitting with the protein structure, although I am 100% sure I have DNA in the structure by indepenent means. If

Re: [ccp4bb] Dissolving s-adenosylhomocysteine

2007-11-06 Thread Ralf JAUCH
Hi Ray, I've got a similar concern and contacted SIGMA for advice. I got the following response: "We test routinely solubility in water (100 mg/ml). A clear to slightly hazy light yellow solution is yielded. This material is 80-90% pure when prepared, but is very unstable. As much as 10% puri

Re: [ccp4bb] Dissolving s-adenosylhomocysteine

2007-11-06 Thread Jacob Keller
I solved a structure in the presence of SAM, which is the same as SAH but with a donor methyl group, and saw clear density for SAH, and not SAM, so it seems that the SAM was either spontaneously de-methylated in solution, or the protein which bound the SAM spontaneously demethylated it. In any c

[ccp4bb] Dissolving s-adenosylhomocysteine

2007-11-06 Thread Ray Changrui Lu
Hi all, I am in the process of obtaining crystals in complex with s-adenosylhomocysteine but this compound doesn't dissolve in normal pH. The final concentration needs to be in mM range so the stock ideally needs to be at least 50mM. I know SAH is quite soluble in DMSO but is there anyway to get i

[ccp4bb] [Protein-crystallography] November 2007 issue of the IUCr Computing Commission Newsletter on-line (fwd)

2007-11-06 Thread Gerard DVD Kleywegt
Forwarded from bionet.xtallography --dvd -- Forwarded message -- Date: Mon, 05 Nov 2007 16:22:11 -0800 From: "[EMAIL PROTECTED]" <[EMAIL PROTECTED]> To: [EMAIL PROTECTED] Newsgroups: bionet.xtallography Subject: [Protein-crystallography] November 2007 issue of the IUCr Computing

Re: [ccp4bb] libccp4map.so

2007-11-06 Thread P J Briggs
Hi Ian What system are you running on? I might be able to provide you with something that works if it's Linux. And, are you also missing $CBIN/ccp4mapwish? There is an issue with mapslicer when compiling, if the tclconfig.sh and tkconfig.sh files are missing (which seems to be the case when

Re: [ccp4bb] converting structure factor files to mtz files

2007-11-06 Thread Winn, MD (Martyn)
You need to update to CCP4 6.0.2, these items are now recognised. We try to keep up with the latest cif definitions, but there is a lag. The documentation for cif2mtz lists the column labels recognised. These are only labels, so if the worst comes to the worst, you can edit these in the cif file t

Re: [ccp4bb] converting structure factor files to mtz files

2007-11-06 Thread Manfred S. Weiss
Dear Bjoern, this is a problem with several newer mmcif files in the PDB. There are many items in the cif-file which are not in the CCP4 library. This is a bit annoying when you want to convert large numbers of mmcifs to mtzs for whatever reason, but I guess the only solution is to wait until the

Re: [ccp4bb] converting structure factor files to mtz files

2007-11-06 Thread Björn Kauppi
Hi, I also have problems running cif2mtz using ccp4i (5.99) interface with several mmCIF files downloaded from the pdb (e.g., 2pip, ) on my linux box. Problems with the _refln.pdbx_F_plus etc cards it seems: Files without anomalous data work. --snip from log file: Line 58:data name "_refl

Re: [ccp4bb] Apple OS 10.5 and X11

2007-11-06 Thread Ronnie Berntsson
Hi, I just installed Leopard, using a clean install (no upgrade), and here are a few reflections on it so far. Installation goes very smoothly, clean install on ~40 minutes on my MacBook 2 Ghz (~30 minutes for an upgrade on an iMac 2.4 GHz). Fink installation of 0.27.8 via bootstrapping goes

[ccp4bb] Solved: Re: [ccp4bb] refmac5: FIND_CONTACT_WITH_BRICKING failed

2007-11-06 Thread Tim Gruene
Hi, I compiled refmac5/ ccp4 libraries with the intel fortran compiler and the aforementioned problems did not occur anymore. So it looks like the gcc 4.2.1 that comes with SuSE 10.3 is broken (again...), which is also what somebody from our group pointed me out to. Tim -- Tim Gruene Insti