Hello CNS USERS I Have collected a low resolution dataset ( upto 3.0 A) in MAR345 imageplate. I have successfully run auto indexing in denzo. It is giving...
99
Charlie Bond
c.s.bond@...
Jun 4, 2001 9:48 pm
pdb-mode is a major mode for the GNU-Emacs/XEmacs editors, providing editing functions of relevance to Protein DataBank (PDB) formatted files. This...
100
Harry M. Greenblatt
harry.greenblatt@...
Jun 6, 2001 12:22 pm
BS"D Dear All, Some weeks ago, I reported trouble with going from strict NCS to restrained NCS (cns_solve 1.0). The program terminated prematurely, ...
101
hcguo@...
Jun 7, 2001 3:19 pm
Dear Colleagues, ...... ...... lex refloat.l cc -O -o refloat lex.yy.c -ll cc: Info: lex.yy.c, line 308: In the initializer for yysvec[1].yystoff, an array ...
102
hcguo@...
Jun 7, 2001 3:19 pm
Dear Colleagues, First I apologize for the previous incomplete message. I am trying to install CNS 1.0 on Dec-Alpha XP1000 running Tru64 5.0a. The compiler ...
103
Gianluigi Veglia
vegli001@...
Jun 12, 2001 6:27 am
Dear All, I applied the standard simulated annealing protocol from CNS to a peptide (31 aa) and I obtained several structures with no violations (no NOE, no...
104
Marcius da Silva Alme...
msalmeida@...
Jun 12, 2001 1:26 pm
<color><param>0100,0100,0100</param><FontFamily><param>Times New Roman</param><smaller><smaller>Dear Gianluigi, <flushboth>I had almost the same problem with...
105
J. Bleyhl
jbleyhl@...
Jun 12, 2001 6:16 pm
Hi, I'm currently working with CNS in an attempt to refine some rough structres. The error I am currently getting in my anneal.out file is: "%MODULE error...
106
coadou@...
Jun 14, 2001 6:30 am
Hello, Do you have topologies & parameters (for protein-allhdg.top & protein-allhdg.param) for Phosphorylated Serine ( dianionic, anionic, neutral )??? I am...
107
Joao Barbosa
joao@...
Jun 14, 2001 6:30 am
Hello, Averaging one map using NCS is contemplated in the input file average_map.inp. But I would like to average 3 different maps from different complexes of...
108
jbleyhl@...
Jun 14, 2001 6:31 am
Hi, I'm currently working with CNS in an attempt to refine some rough structres. The error I am currently getting in my anneal.out file is: "%MODULE error...
109
Kaj Stenberg
kstenber@...
Jun 14, 2001 12:12 pm
I tried running a cross_rotation.inp job using the "direct" option. Search model 394 aa + 1 Zn. The job terminates with %MAKTHE error encountered: NR > MAXNR...
110
Gerard "DVD"...
gerard@...
Jun 14, 2001 2:05 pm
you can do multiple-crystal averaging with dmmulti or rave (http://xray.bmc.uu.se/usf) --dvd ... ...
111
Gerard "DVD"...
gerard@...
Jun 14, 2001 2:48 pm
strange. MAKTHE is first called to determine how many rotations are needed (MAXNR), then memory is allocated and the routine is called again to calculate and...
112
Istvan Pelczer
ipelczer@...
Jun 16, 2001 10:51 pm
Dear Colleagues, I am trying to put together a zinc-finger-like small protein and calculate the structure in CNS. I guess I get the right starting files, but...
113
Kaj Stenberg
kstenber@...
Jun 18, 2001 8:28 am
... Do you have any particular reason for not just adding to the parameter files "CNS_TOPPAR:ion.param" ? At least the error message disappears that way. -- ...
114
James Stroud
stroudj@...
Jun 18, 2001 8:28 am
I am trying to compile CNS on my Mac G3 Linux box and have reduced my compilation errors to just two main ones. 1. Trouble with diff_anis.f 2. No source for...
115
Harry M. Greenblatt
harry.greenblatt@...
Jun 18, 2001 10:53 am
BS"D Well, I compiled cns under Linux-ppc more than a year ago (maybe 2 years?) on a G3. I used the standard f77 compilers available for that flavour of...
116
Kevin Battaile
battaile@...
Jun 19, 2001 7:18 pm
Hi, I am experiencing an annoying problem with my linux box that is rendering it almost unusable. If I start from freshly booted machine and start submitting...
117
bds
bds@...
Jun 19, 2001 7:53 pm
I had a LOT of problems with RH7.0, to the point that the workstation crashed and was totally unusable, and the desktop manager didn't work. Upgrade to RH7.1,...
118
jbleyhl@...
Jun 20, 2001 5:43 am
Hello, We are interested in stopping cns before it reaches the first slow-cool annealing stage, and we would like to know the easies way to do this. I would...
119
Atro Tossavainen
Atro.Tossavainen@...
Jun 20, 2001 2:23 pm
Hello all, I'm failing to build CNS 1.0 on Alpha (Digital UNIX 4.0F, compilers DFABASE520 DIGITAL Fortran 90 and 77 V5.2 for DIGITAL UNIX Alpha Systems) and HP...
120
Paola Llinas
pllinas@...
Jun 21, 2001 1:37 pm
Dear all, I have an anomalous data set with 4 different wavelengths and I am using, for the first time, the procedure for Phasing by Multiple Anomalous...
121
jbleyhl@...
Jun 21, 2001 10:59 pm
Hi everyone. The problem I'm having is with the generate_easy.inp script and the anneal.inp that takes place after that. I have a pdb that I am using in with...
122
Christian Blouin
cblouin@...
Jun 27, 2001 5:54 pm
Greetings, I attempted to compile xplor (the latest version) on a Red Hat 7.0/ Athlon and got the following g77 error message: .... long output... xxplor.o: In...
123
Anna Marie Davies
anna.davies@...
Jun 27, 2001 8:29 pm
Dear All, I would like to perform a final round of refinement using all reflections from my dataset. (Up until now I have been using the mlf target and R free)...
124
Gerard "DVD"...
gerard@...
Jun 27, 2001 9:13 pm
you can't use the max likelihood targets unless you have a test set. instead, use the good old RESIdual target for the final refinement --gerard ... ...
125
rams@...
Jun 27, 2001 10:27 pm
Hello all! I have refined my heavy atom positions to 4.5A from a TaBr cluster. To extend resolution of refinement, I want to orient the cluster properly. I am...
126
Balaji Bhyravbhatla
balaji.bhyravbhatla@...
Jun 28, 2001 6:55 am
Hi All, I am trying to run minimize.inp on a RH Linux box but have the following error: Error: symmetry operators do not form a group. Check # 2* # 4 ........ ...
127
Poul Nissen
nissen@...
Jun 28, 2001 7:32 am
Your Ta6Br12++ cluster sites may very well be spherically disordered -they most often are, I think. Thus, you will only see large blobs of electron density in...
