(Forwarded on behalf of Lachlan Cranswick --dvd) ... Date: Fri, 3 Dec 2004 13:44:41 +0000 (GMT) From: L. Cranswick <lzc@...> To:...
1158
Ibrahim Moustafa
moustafa@...
Dec 7, 2004 6:59 am
Dear all, Further to my previous post (segmenation failed error), the problem was solved by compiling a new version of f2c. However, I noticed that the program...
1159
Qun Wan
qunwan
Dec 7, 2004 3:31 pm
Dear all, I am refining a crystal structure which diffract to 1.9Å. Since this crystal is very isomorphous with another crystal which diffract to 2.2A (Rfree...
1160
Gerard DVD Kleywegt
gerard@...
Dec 7, 2004 3:40 pm
... if you re-generate the test set for the 1.9 A data, then for each test set reflection between 2.2 A and infinity there is a 90% probability (assuming 10% ...
1161
Matt Franklin
franklin.matt@...
Dec 7, 2004 7:55 pm
... Hi Qun - To follow up on Gerard's answer, your 1.9 A and 2.2 A data sets are highly correlated; I imagine the cross R factor between the two is below 10%....
1162
jzimmerbln
Dec 8, 2004 2:41 pm
Hi, I'm working on a NMR structure and would like to tell CNS to have a cis-bond for a non-proline residue (Cys). Can someone tell me how to do this? Couldn't...
1163
Qun Wan
qunwan
Dec 8, 2004 8:20 pm
Dear all, I got a question about refinement. My crystal data has the resolution 1.9A. When I performed a few round of refinement and model building, my R is...
1164
Brian Smith
brian_o_smith
Dec 9, 2004 9:59 am
Juergen, ... You need to apply the CISP patch residue (defined in protein-allhdg.top) as you build your mtf (using generate....inp). You can add the patch ...
1165
Qun Wan
qunwan
Dec 18, 2004 12:02 am
Dear all, One of my crystals is suspected to be a perfect twin crystal. In the original crystallization condition, its space group is C2. After changing the...
1166
Deepak Nair
nair@...
Dec 21, 2004 5:41 pm
Hello, I am refining the structure of a Protein-DNA complex using CNS. The DNA has 5-iodo uracil instead of thymine. There is a patch in CNS to add an iodine...
1167
Robert Sweet
sweet@...
Jan 4, 2005 4:04 pm
We are offering RapiData 2005, the seventh offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
1168
yulia_frenkel
Jan 4, 2005 5:56 pm
Hi All, I am trying to solve a virus structure using molecular replacement. This virus has been solved before, none though in the same space group. Due to the...
1169
Mark A. White
white@...
Jan 4, 2005 6:29 pm
Yulia, For MR searches using icosahedral NCS symmetry I would suggest the REPLACE/GLR/TF program suite from Liang Tong ...
1170
Daan van Aalten
vdava@...
Jan 5, 2005 8:27 pm
Dear all The PRODRG2 program, which generates coordinates and topologies from scratch (output formats: various PDB files with/without hydrogens and CNS, ...
1171
Deepak Nair
nair@...
Jan 7, 2005 6:52 pm
Hello, I am trying to refine the structure of Protein-DNA complex. The DNA has 5-iodo Uracil instead of THymine. I used the following patch in generate.inp so...
1172
cafandra
Jan 10, 2005 1:30 pm
Hi, I would like to make the .mtf file from my protein sequence. I have an sequence.xml file that contains 128 aminoacides. I modified the generate_seq.inp...
1173
Khristine Anderson
khristine_an...
Jan 11, 2005 7:25 am
I am assisting to recruit a Quality Control Scientist for a biochemical company located in Torrance, California. COMPANY: They are an international,...
1174
Warren DeLano
warren@...
Jan 14, 2005 2:00 am
Fellow Visualization Software Users: My #1 gripe with MacOS X Panther has been the lack of support for industry-standard stereo-3D graphics (in a window). So...
1175
Qun Wan
qunwan
Jan 14, 2005 4:22 pm
Hi, everyone: I have a simple question about loading the electron density map. I have generated x-plor format map and try to load it into pymol. However, pymol...
1176
maxikworld
Jan 14, 2005 10:29 pm
Dear All, I'm using cns_solve_1.1 in my software. My final goal of using model_map.inp is to generate an electron density map in an unmodified scale (without...
1177
Edward Berry
eaberry@...
Jan 14, 2005 11:20 pm
Dear maxikworld, This can happen if you omit the 0,0,0 reflection. The Fourier terms involving all other reflections are sinusoidal, and thus average to zero...
1178
mxyf1
Jan 15, 2005 12:45 am
Hi- Hopefully someone out there has some advice/suggestions. We recently purchased a new Dell work station with the above version of Red Hat. The postdoc who...
1179
Kay Diederichs
kay.diederichs@...
Jan 15, 2005 11:01 am
... Mary, the easiest way to get around this is to find a 32bit RHEL3 (or any of its clones) workstation and compile there. Alternatively, you could compile on...
1180
ishitani@...
Jan 17, 2005 3:30 pm
Dear CNS/XPLOR users, I released the first official version of "CueMol" (formerly called "Que"). CueMol is a molecular structure visualization program that...
1181
Rongjin Guan
ziweiguan@...
Jan 18, 2005 5:27 pm
Dear CNS users, I am refining a complex structure with CNS, which contains a hetero compound. I can not find the topology file and parameter file for it in...
1182
wob96
Jan 18, 2005 6:08 pm
Hi there, I'm a novice CNS/X-PLOR user and having a hard time to set up refinement for carbohydrates.. Does anyone have relevant experiences and if so could...
1183
Nic Steussy
nsteussy
Jan 19, 2005 5:58 pm
All, I have a situation where the cysteine in my active site is in two conformations. One conformation is modified by having an acetoacetyl group attached to...
1184
Luca Jovine
lucajovine
Jan 24, 2005 3:20 pm
POSTDOCTORAL POSITIONS IN PROTEIN CRYSTALLOGRAPHY AT KAROLINSKA INSTITUTET Two postdoctoral positions are available to study the structure and function of egg...
1185
Qun Wan
qunwan
Jan 26, 2005 7:16 pm
Hi, I have a question about individual b-factor refinement. I use optimize_rweight.inp to get the best rweight=0.02, and optimize_wa.inp to get the best...
1186
Martyn Symmons
martyn@...
Jan 26, 2005 7:25 pm
The optimize scripts work pretty well - another possibility is that you are using B-factor restraints in bindividual that are too tight - which is the default....
