Hi Subhendu, The CNS tasks you want to look at are model_minimize.inp and model_anneal.inp. However, be careful that you do not overfit your model which can...
1690
ina_lindemann
Jun 2, 2008 12:19 pm
Hey, I got a problem during the refinement of my crystal structure in CNS. The protein has a covalently bound inhibitor. I specified the inhibitor's pdb in...
1691
"Stephanie Kö...
stephiekorber
Jun 3, 2008 1:28 pm
Hi, i am trying to install CNS on windows, so i downloaded the .exe file for windows, but it seems that this is damaged. Is there an other way to install CNS...
1692
i_m_subh
Jun 17, 2008 5:48 pm
Hi, I am trying to run cross_rotation.inp(Molecular Replacement) file but it is giving an error everytime.The program basically halts just after reading the...
1693
Gerard DVD Kleywegt
gerard@...
Jun 19, 2008 1:19 pm
if your reflection lines only contain indices, it means there is no data ... where are your FOBS and SIGMA values? ... --gerard ...
1694
Christina Bourne
bournecr
Jun 19, 2008 9:29 pm
Hello, I am trying to install version 1.2 on my Ubuntu 8.04 system. Typing "sudo make install" returns: -clip- C compiler passes test compiling: gfortran -w...
1695
Debajyoti Dutta
molbiol349
Jun 28, 2008 3:20 pm
Hi, I have prepared two map files after running self_rotation.inp. Is there any viewer to see those map files. Can O be used in this purpose. Can I use the...
1696
prem_tezu_poly
Jun 30, 2008 8:23 am
Dear All, I am the youngest member of this group. Hi to all of you. I am trying to incorporate RDC data into my structure calculation. I generated the MTF file...
1697
Gerard DVD Kleywegt
gerard@...
Jun 30, 2008 12:45 pm
... it's a long time ago i did MR with x-plor/cns but if the map format is the standard x-plor/cns one, you should be able to convert the file into a ccp4 or O...
1698
Kevin Jude
kmjxxx
Jun 30, 2008 5:43 pm
I see two problems. Looks like you've made a typo in your bond definitions - atom 2270 is a hydrogen atom. After correcting this, you will need to define a...
1699
Debajyoti Dutta
molbiol349
Jul 2, 2008 6:06 am
Hi All, I am executing translation.inp for a 2.0A data. I have sucessfully got the cross rotation output peaks. But when trying to run the translation.inp I am...
1700
Gerard DVD Kleywegt
gerard@...
Jul 2, 2008 8:36 am
well, you could fix the *symptom* by defining top/par for the ligand(s), but for molecular replacement calculations you should really remove all ligands and...
1701
Debajyoti Dutta
molbiol349
Jul 2, 2008 4:14 pm
Hi again, Thank you all for your suggestions. I am very sorry for my incomplete mail. Actually translation.inp is giving error for may atoms I have taken only...
1702
prem_tezu_poly
Jul 3, 2008 6:18 am
Dear All, is there any way to calculate theoretically Residual Dipoar Coupling value given a PDB structure. How does the RDC calculated the obtained. regards ...
1703
Debajyoti Dutta
molbiol349
Jul 3, 2008 5:44 pm
Hi all, Thank you for all replies, suggestions. All helped me a lot. Sincerely Debajyoti ... From: Ed Pozharski <epozh001@...> Subject: Re: [cnsbb]...
1704
i_m_subh
Jul 5, 2008 6:22 am
Hi, I have solved phases in a different space group than the one that was in the synchrotron data. Do I have to change the space group in the data file before...
1705
i_m_subh
Jul 6, 2008 7:47 am
Hi, I am tryting to convert truncated mtz data file to cns. The mtz header looks like this H K L IMEAN SIGIMEAN I(+) SIGI(+) I(-) SIGI(-) F SIGF DANO SIGDANO ...
1706
Gerard DVD Kleywegt
gerard@...
Jul 6, 2008 8:29 am
i hate to break this to you, but your label assignment is complete and utter rubbish! ask your supervisor to explain the difference between an amplitude and an...
1707
Debajyoti Dutta
molbiol349
Jul 6, 2008 3:17 pm
Hi again, Actually the maps prepared from the self_rotaion.inp are patterson maps. those are self_rotation_p1.map                     and...
It looks to me that the ligand is in a very tight conformation or fit that causes the close contacts. Eventually, the annealing job becomes unstable and the ...
1710
Axel Brunger
brunger@...
Jul 11, 2008 6:29 pm
CNS 1.21 is now available. A particular highlight is automatic dimensioning of torsion angle dynamics arrays (e.g., MAXTREE), so no user intervention is...
1711
Debajyoti Dutta
molbiol349
Jul 14, 2008 11:05 am
Hi, Sorry to continuing with the subjec "viewing map files" There is an utility in CNS plot_patterson that can be used to convert postscript plots from...
1712
Debajyoti Dutta
molbiol349
Jul 15, 2008 6:18 pm
Hi all, I am using the plot_patterson utility of CNS 1.2. after I type #plot_patterson #patterson map file -> *.map #patterson plane (x/y/z) -> I just want to...
1713
Debajyoti Dutta
molbiol349
Jul 17, 2008 5:00 am
Hi, Thank you very much for all help. Sincerely Debajyoti Dutta ... From: mxyf1 <mxyf1@...> Subject: Re: [cnsbb] how to answer the patterson plane...
1714
kenny5000kimo
Jul 21, 2008 6:07 am
Hi Everyone, I am trying to refine a structure that contains F atom , but am running into the following error: SELRPN: 2081 atoms have been selected out of...
1715
Axel Brunger
brunger@...
Jul 23, 2008 10:03 pm
An openmp multi-processor version of CNS 1.21 is now available at the CNS download site (see http://cns-online.org/cns_request/ to obtain downloading ...
1716
o.h.weiergraeber@...
Jul 24, 2008 12:08 pm
Hello, we just found that cns_solve 1.21 does not compile under SGI IRIX. We tried on a Fuel system (R14000) running IRIX 6.5.30 as well as on an Octane...
1717
Daniel Schlieper
daniel_schli...
Jul 26, 2008 5:02 pm
Hello, I have a 2.4 A dataset from a perfect merohedral twin. From this, I have refined a structure to R=18%, Rfree=20% using CNS 1.0 and the routines...
1718
i_m_subh
Aug 3, 2008 9:45 pm
Hi, I have built an almost complete model with some refinement but I am still unable to build two small loops (5-6 residues)using "coot" or "O" even after some...
