Hi, I try to generate mtf file for a pdb file using generate.inp. My pdb file has an N terminal end and a heme group. I have saved the N terminal end as a...
1648
Kay Diederichs
kay.diederichs@...
Feb 7, 2008 2:03 pm
Dear all, I want to bring two crystallographic wikis to your attention, asking for your contribution: 1) CCP4 user community wiki: ...
1649
francesco zonta
francesco.zonta79@...
Feb 11, 2008 5:34 pm
Good morning. I need to download xplor 3.1 or an equivalent version. However I am not able to find any dowloadable version of xplor, except from xplor-nih. I...
1650
Charles@...
Feb 11, 2008 6:06 pm
... Hash: SHA1 Hello Francesco-- ... Xplor-NIH is backward compatible with XPLOR 3.851. I hope this helps you out. regards-- Charles ... Version: GnuPG v1.4.6...
1651
Axel Brunger
brunger@...
Feb 11, 2008 6:30 pm
These legacy versions of X-PLOR are available through the CNS download mechanism. When you request a CNS download password, you then have access to the...
1652
francesco zonta
francesco.zonta79@...
Feb 13, 2008 6:46 pm
Good afternoon. I need to add hydrogen atoms to a protein. In xplor manual in did not find nothing that seems to do this work (a part from a reference to a ...
1653
francesco zonta
francesco.zonta79@...
Feb 20, 2008 10:53 am
Goodmorning. I need to perform energy minimization and simulating annealing on a system that I know is made of four alpha helixes. I also have to put some noe...
1654
bie gao
gaobie
Feb 22, 2008 7:26 am
Hi all, I'm having trouble with a model (2.6-2.7 A) which has >90% sequence built in already. However, the B factor is extremely high (Baverage > 55) for both ...
1655
"Stephanie Kö...
Stephie2801@...
Feb 25, 2008 5:34 pm
hi, during refinement i added a peptide inhibitor to my structure. but his inhibitor carries on the n-terminus a methoxysuccinyl goup. The bond between this...
1656
indrani_saggi
Feb 26, 2008 6:52 pm
Hi, I am trying to create two strands for a DNA duplex. I have modified the generate_seq.inp file and specified the strand ID and numbering scheme. But I can't...
1657
Christian Biertuempfel
cbiertue
Feb 27, 2008 7:10 am
Hello, I usually generate standard nucleic acid molecules using the make-na server: http://structure.usc.edu/make-na/server.html Then, I use the...
1658
michaelxiagang
Feb 28, 2008 7:41 am
I am doing a protein-ligand complex crystal structure. The ligand structure and its topology and parameter files are created by PRODRG. And I did adjustment on...
1659
Ben Eisenbraun
bene@...
Mar 6, 2008 3:28 pm
I have a researcher running the generate step of a CNS refinement on a very large data set (~550,000 atoms). The calculations run for about 90 minutes and...
1660
salkaradaghi
Mar 9, 2008 3:05 pm
I have been trying plot_patterson to convert Harker sections to Postscript. On mac OS 10.5, after answering the terminal input I get: PSmapy: Command not found...
1661
Axel Brunger
brunger@...
Mar 11, 2008 9:59 pm
I just tested it on my mac systems running OS 10.5.2. It works fine. Trouble shooting suggestions: Make sure that you have properly defined the CNS path in...
1662
Axel Brunger
brunger@...
Mar 11, 2008 10:08 pm
Dear Ben, Turn on the debug level by modifying the line in the script file: evaluate ($log_level=quiet) to evaluate ($log_level=verbose). Other...
1663
horst.schirra
Mar 18, 2008 5:09 am
Hi, We calculate a lot of NMR structures of cyclic peptides and proteins (C-terminus connected via peptide bond to N-terminus), and so far we have been using...
1664
MIYANOIRI Yohei
ymiya@...
Mar 18, 2008 4:13 pm
Dear CNS users, We are trying to refine the structure of Zn finger(C2H2 and C2HC) containing protein. But, we don't have topology and parameter files of these...
1665
Ben Eisenbraun
bene@...
Mar 20, 2008 10:20 pm
Hi Axel, ... Thanks for your help. -ben -- Ben Eisenbraun Structural Biology Grid http://sbgrid.org/...
1666
Sanishvili, Ruslan
rsanishvili@...
Mar 28, 2008 4:54 pm
Dear Colleagues, This is a friendly reminder that the abstract submission deadline for IUCr Congress in Osaka, Japan is March 31st. One of the many interesting...
1667
mickoala
Apr 3, 2008 9:35 am
Dear all, I was trying to make a composite omit map with CNS 1.2, but during torsion angle dynamics, it always reports an "argument out of range" ... ...
1668
molbiol349
Apr 7, 2008 4:23 pm
Dear All, I am trying to install CNS in a machine with OS SUSE 10.3. But the installation stops with the following error. #make install copying files in...
1669
Christian Biertuempfel
cbiertue
Apr 8, 2008 12:08 pm
Hi, you need to install the gnu compilers. The gnu fortran compiler is now called gfortran (it used to be called g77) but you will need a few more things. Here...
1670
Debajyoti Dutta
molbiol349
Apr 10, 2008 7:04 pm
Hi, I have tried installing all libraries of FORTRAN and C as suggested by Dr. Christian Biertümpfel. libgfortran42 cpp42 gcc42 gccfortran42 the installation...
1671
befgroup
Apr 14, 2008 7:30 pm
Warning: there are less than 50 reflections per bin you may want to increase the size of the test set Sum of 1794 elements = 1794.0000 Sum of...
1672
albumns
Apr 22, 2008 12:40 pm
hi: I've got a series no.of problems of CNS11.2 in Opensuse10.3. first my Terminal is Bash, and i've set the environment various as the following: source...
1673
Christian Biertuempfel
cbiertue
Apr 24, 2008 8:19 am
Dear Albert, Your problem is shell related. You have to use the correct environment file for your shell. If you use bash shell you have to source ...
1674
gsanc01
Apr 25, 2008 8:54 am
Dear Colleague, At the Grenoble Outstation of the EMBL we have been developing a humidity control device (HC1) used to improve the diffraction quality of...
1675
molbiol349
Apr 30, 2008 9:14 am
Hi, I have tried with the following compilers of Fortran in openSUSE 10.3 freshly. gcc-fortran libgfortran41 libgfortran42 libgfortran43 gcc33 including all C...
1676
molbiol349
May 1, 2008 6:39 pm
Dear All, At last I am able to install cns in openSUSE 10.3. I don't know which compiler is playing the role but I am mentioning the libraries and compilers I...
