... it was never intended to be used in this way, but i suspect that the jiffy program ACONIO might do the trick for you (manual lives at...
957
Kaushik Chakraborty
kcnet1
May 10, 2004 9:56 am
Hi, I tried to make CNS (latest version) run on AIX Power4 (it's an unsupported platform). Makefile deatils (in AIX/source folder): F77 = f77 F77STD = -w -g ...
958
Q. Steven Xu
qsxu@...
May 14, 2004 12:52 am
Dear all, I have a structure with 6 copies of mol. in one asymm. unit. 3 of them (A, C, E chain) have alternate conformations on the same residue, say resid...
959
bobay20002000
May 17, 2004 5:15 pm
Hi everybody - I think that I have a fairly easy question that can be answered. I am using CNS 1.0 and I am a newbie at it. I used NMR to obtain all of my...
960
bobay20002000
May 18, 2004 6:57 am
I would like to post a follow up with what I have attempted to answer the "dimer" question in CNS. Below is what I have tried so far: 1.) Manually went into...
961
florent.barbault
flotchinson
May 18, 2004 9:01 am
Hi, I did several dimer solution structures by NMR because I was working on DNA and RNA... I give you a cns script called GEN_SEP.inp (SEP stands for ...
962
bobay20002000
May 18, 2004 6:24 pm
Alright I have a solution. First off, calculate each mtf and extended pdb file separately for each monomer (i.e. A.mtf, B.mtf, A.pdb, and B.pdb). Then type the...
963
bill1116.tw
May 19, 2004 12:06 pm
Dear CNS users, I have a problem in connecting methyl group of small compound with the sulfide in Cys residue of my protein. How should I do making script in...
964
Mark A. White
white@...
May 19, 2004 2:12 pm
Here is an example of a Cys - HEME bond patch in generate.inp. Note that the connectivity and bond distance/angles are specified in the TOP and PARAM files...
965
maryli12
May 19, 2004 10:11 pm
Hi, I found this message but no answers. Anyone knows the answers? I encountered the same problem. Thanks a lot! Mary Does anyone know how to refine a site...
966
Joel Tyndall
joel.tyndall@...
May 20, 2004 6:41 am
Hi folks, I'm usually pretty good at this but I'm now on windows and that is creating a few issues. I successfully installed CNS on windows and for an Xray...
967
Demetres D. Leonidas
ddl@...
May 20, 2004 6:46 am
Put the occupancy of ligand A to 0.5 and that of ligand B 0.5 . Refine using restraints that do not allow the two ligand molecules to interact with each other...
968
Mark A. White
white@...
May 20, 2004 4:24 pm
Mary and Hua, Here is an example for a ligand on a two-fold. It removes the VDW interactions between the selected residue and itself. If you follow the ...
969
Joel Tyndall
joel.tyndall@...
May 21, 2004 8:11 am
Hello again, I'm adding an unnatural amino acid in to my protein but unfortunately I get this error below. I have added in the appropriate topology as a normal...
970
Andrew Wong
whyandrew
May 21, 2004 8:17 am
Hi Just want to know is there any easy way to make anomalous file for wavelength other than that of Cu/Mo, which are included in CNS's library? Thanks ...
971
Joel Tyndall
joel.tyndall@...
May 21, 2004 8:17 am
Hi folks, I asked too soon. I needed to edit the protein.link file. Cheers J Hello again, I'm adding an unnatural amino acid in to my protein but unfortunately...
972
Jo Avis
Johanna.m.Avis@...
May 21, 2004 11:34 am
Below are details of a postdoctoral position in my lab to determine protein NMR structures of relevance to developmental signalling. The environment: The...
973
Alan Purvis
purvis_alan
May 21, 2004 8:31 pm
This is a lot more difficult than it seams. It took me several months to attach my PLP cofactor to a Lysine residue. In fact it was such a pain that I wrote...
974
ilan samish
zhenglin88
May 23, 2004 10:32 pm
2nd Announcement to STRUCTURAL BIOINFORMATICS (3D SIG) 29-30 July 2004, Glasgow UK (immediately preceding ISMB/ECCB 2004) A 2-day innovative, stimulating...
975
arangsnmr
May 24, 2004 9:24 am
Hi my name is arangs.i am new to this group.recently joined.this group is very nice.I have one doubt in NMR.I need to calculate the average pdb file for...
976
Mukherjee, Munia
mumukher
May 24, 2004 3:35 pm
CNS has a flag in its structure calculation protocols that asks you whether you want an average structure after the calculation is done. Otherwise you can do...
977
James Stroud
stroudj@...
May 25, 2004 5:55 am
Hello All, I have been looking at numerous packages all day and I am trying to figure out which one would be best for a very simple exercise. Namely, I would...
978
Joel Tyndall
joel.tyndall@...
May 25, 2004 7:16 am
Hi folks, Err I have managed to fix my previous problem....I was miising a few lines on the bottom of my inp file! Sorry for clooging up the board Joel -- Joel...
979
Joel Tyndall
joel.tyndall@...
May 25, 2004 7:19 am
Hi folks, I thought I was doing so well but now I'm stumped. I am running generate.inp to test patches I have set up for an unusual ligand. it all goes well...
980
ashlesha deshpande
ashleshaa
May 25, 2004 7:20 am
Dear All, I am trying to fit TFE, in my protein using CNS. However , when I am minimizing I get the following error: %XRASSOC-ERR: missing SCATter definition...
981
biarrott@...
biarrotte2001
May 26, 2004 8:17 am
Dear all, I have a dataset with selenium atoms to 2.6 A resolution (6 Se atoms detected by mass spectrometry for 354 residues). The data were treated with...
982
Yu Wai Chen
ywc@...
May 26, 2004 12:03 pm
Dear all, I have been using CNS a lot in crystallography but not for MD. I wonder if anyone could help me with this. I have a structure and I would like to run...
983
tomtardis0
May 29, 2004 6:28 am
Hello CNS/Xplor users, I have been using CNS to calculate structures for several years now and I am trying to switch platforms from windows (shudder) over to ...
984
cnsbbs
May 29, 2004 7:23 am
Hi, everyone! Several weeks ago, I get a solve from a native x-ray data of a protein using amore though the search model protein shows low similarity...
985
Sabine Ruth Quadt
sabine.quadt@...
May 31, 2004 1:07 pm
Hallo, thanks to all for the help with the psf file of sulfotyrosine. Now I have a question not connected to cns. Does anybody know the extinction coefficient...
