[ccp4bb] How to run Java program?

2007-04-03 Thread yang li

Hi,
  I have a java program named Switch.java, I want to run it under fedora5
core, I donnot know any compiler
I need to install? I installed a package named jre-1_5_0_11-
linux-i586-rpm.bin, when I use command
 java Switch.java
wrong information came out:
Exception in thread main java.lang.NoClassDefFoundError: SwitchI
  at gnu.java.lang.MainThread.run(libgcj.so.7)
Caused by: java.lang.ClassNotFoundException: SwitchI not found in
gnu.gcj.runtime.SystemClassLoader{urls=[file:./], parent=
gnu.gcj.runtime.ExtensionClassLoader{urls=[], parent=null}}
  at java.net.URLClassLoader.findClass(libgcj.so.7)
  at java.lang.ClassLoader.loadClass(libgcj.so.7)
  at java.lang.ClassLoader.loadClass(libgcj.so.7)
  at java.lang.Class.forName(libgcj.so.7)
  at gnu.java.lang.MainThread.run(libgcj.so.7)

Then I used command yum install libgcj.so.7 , but it was not helpful.
I am a java newhand, any help will be appreciated, thanks!


[ccp4bb] Question about cryoprotectant

2007-04-03 Thread yang li

Hi,
l have a crystal grow at condition screen l 40:
0.1M tri-sodium citrate dihydrate  pH5.6  isoproponal 20%PEG4k 20%
and the crystal need a cryoprotectant, we have used the 30% glycerol but it
is not good, the mosaicity of
the diffraction pattern is a little high, so anyone knows which is the best
cryoprotectant for this crystal?
Thanks!


Re: [ccp4bb] How to run Java program?

2007-04-03 Thread Kevin Cowtan
The file you need to run should end .class or .jar. If you don't have 
such a file, you'll need to compile it first. You probably need a java 
sdk rather than jre, although gcj might do the trick.


Then:
 javac Switch.java
should make the .class file. (You may need to include the path to your 
java compiler).


Finally:
 java Switch.class
should run it.

Of course Switch may not be a runnable class, in which case you'll get 
an error.


Kevin

yang li wrote:

Hi,
   I have a java program named Switch.java, I want to run it under 
fedora5 core, I donnot know any compiler
I need to install? I installed a package named 
jre-1_5_0_11-linux-i586-rpm.bin, when I use command

  java Switch.java
wrong information came out:
Exception in thread main java.lang.NoClassDefFoundError: SwitchI
   at gnu.java.lang.MainThread.run(libgcj.so.7)
Caused by: java.lang.ClassNotFoundException: SwitchI not found in 
gnu.gcj.runtime.SystemClassLoader{urls=[file:./], 
parent=gnu.gcj.runtime.ExtensionClassLoader{urls=[], parent=null}}

   at java.net.URLClassLoader.findClass(libgcj.so.7)
   at java.lang.ClassLoader.loadClass(libgcj.so.7 )
   at java.lang.ClassLoader.loadClass(libgcj.so.7)
   at java.lang.Class.forName(libgcj.so.7)
   at gnu.java.lang.MainThread.run(libgcj.so.7)

Then I used command yum install libgcj.so.7 , but it was not helpful.
I am a java newhand, any help will be appreciated, thanks!


Re: [ccp4bb] How to run Java program?

2007-04-03 Thread Justin Schmitz

Kevin Cowtan schrieb:
The file you need to run should end .class or .jar. If you don't have 
such a file, you'll need to compile it first. You probably need a java 
sdk rather than jre, although gcj might do the trick.


Then:
 javac Switch.java
should make the .class file. (You may need to include the path to your 
java compiler).


Finally:
 java Switch.class
should run it.

Of course Switch may not be a runnable class, in which case you'll get 
an error.


Kevin

yang li wrote:

Hi,
   I have a java program named Switch.java, I want to run it under 
fedora5 core, I donnot know any compiler
I need to install? I installed a package named 
jre-1_5_0_11-linux-i586-rpm.bin, when I use command

  java Switch.java
wrong information came out:
Exception in thread main java.lang.NoClassDefFoundError: SwitchI
   at gnu.java.lang.MainThread.run(libgcj.so.7)
Caused by: java.lang.ClassNotFoundException: SwitchI not found in 
gnu.gcj.runtime.SystemClassLoader{urls=[file:./], 
parent=gnu.gcj.runtime.ExtensionClassLoader{urls=[], parent=null}}

   at java.net.URLClassLoader.findClass(libgcj.so.7)
   at java.lang.ClassLoader.loadClass(libgcj.so.7 )
   at java.lang.ClassLoader.loadClass(libgcj.so.7)
   at java.lang.Class.forName(libgcj.so.7)
   at gnu.java.lang.MainThread.run(libgcj.so.7)

Then I used command yum install libgcj.so.7 , but it was not helpful.
I am a java newhand, any help will be appreciated, thanks!




java Switch
will run it. Withut the .class


Re: [ccp4bb] Question about cryoprotectant

2007-04-03 Thread artem
Dear Yang Li,

Cryoprotection of crystals is not an exact predictive science - you have
to try a number of things, and in the worst case scenario, none of the
stuff you try may work out.

Assuming that your crystals are OK to start with (capillary mounted room
temp. pattern would confirm that), you can explore a whole wide range of
cryoprotectants. I am slightly surprised that you need one at all - at 20%
isopropanol together with 20% PEG you have 40% organic content which is
usually enough for glassification. You may want to explore the actual
cryo-mounting method - there are several options for flash freezing and
they're not all the same in terms of results.

Assuming that you do really need cryoprotectant, you may want to
experiment with addition of EG or glycerol, etc. right into the mother
liquor when you set things up - this way, if the crystals grow they're
already protected and ready to go. If you can somehow get rid of
isopropanol, your life would be easier as well because this alcohol is
very volatile which can cause no end of trouble when working with crystals
in the open air (among other things, they tend to 'zoom' around the drop
as the surface of the drop is pulled around by fluxes of evaporating
iPrOH.

There are numerous other things you can try, including the one mentioned
here: http://www.xtals.org/ under 'stuff'.

Regards,

Artem
 Hi,
 l have a crystal grow at condition screen l 40:
 0.1M tri-sodium citrate dihydrate  pH5.6  isoproponal 20%PEG4k 20%
 and the crystal need a cryoprotectant, we have used the 30% glycerol but
 it
 is not good, the mosaicity of
 the diffraction pattern is a little high, so anyone knows which is the
 best
 cryoprotectant for this crystal?
 Thanks!



[ccp4bb] Reseach Associate position

2007-04-03 Thread dirk . kessler

Dear All, 

Please pass the following advertisement on to anyone you think might be
interested in this position. 

Thank you. 

With best regards, 

Dirk

-
- 

For our Oncology site Boehringer-Ingelheim Austria GmbH, Vienna we search a
Research Associate in  Medicinal Chemistry

Job ID  277:
Duties and Responsibilities:
- crystallization of new proteins and protein-ligand complexes
- maintenance of automated crystallization and imaging systems as well as of
lab infrastructure
- measurement of crystals at inhouse x-ray source
- preparation of crystals for Synchrotron measurements
- clear documentation of results in lab books and relevant databases

Qualifications:

- Masters degree, completed training as laboratory technician or equivalent

- Several years practical laboratory experience are a must. 
- Sound knowledge of protein chemistry, good knowledge of chemistry,
biochemistry and physics

- Experience in protein crystallography would be advantageous. 

The successful candidate must be motivated, capable of working independently,
and enjoy working in a collaborative setting. 


for more information, please visit: http://www.boehringer-ingelheim.at
(Job/Karriere) [Laboranten im Bereich Biochemie (m/w) ] 



[ccp4bb] Refinement of low resolution structures

2007-04-03 Thread Paul Paukstelis

Hi all,

I'm refining the structure of a complex at low resolution (4.5). 
Certainly refinement at low resolution will become more common, but 
there isn't a whole lot out there now to use as a guide. I've 
incorporated most of the suggestions from DeLaBarre and Brunger, but I'm 
looking for any other suggestions and I have a couple of specific questions.


I have independent, high resolution structures for both molecules of the 
complex, and I got a nice solution from Phaser. There is 4-fold NCS 
(45,000 atoms in the ASU). Because of the low resolution I have also 
added manual restraints based on secondary structure of the individual 
structures to help the observation/parameter ratio. So far, I have been 
using tight NCS restraints in Refmac along with Babinet scaling for bulk 
solvent, fixed B for the solvent, and isotropic refinement for B 
factors. Currently, R=25.7 Rfree=30.0 and the difference between R and 
Rfree has stayed pretty constant from starting values in the 40's. I 
just loosened up the NCS and got a fairly significant drop in R 
(21.3)but a less significant drop in Rfree (28.8).  The maps seem 
somewhat better with some possible ion sites getting stronger in the 
difference map. Should I worry about the large R change relative to Rfree?


I also have some very strong density for a portion of a molecule 
(missing in the original structure) that I can't model unambiguously at 
this resolution. It is very likely in multiple conformations. I'm 
guessing this is going to cause the R factors to bottom out and I'm 
worried trying to push the R factors down without building this will 
lead to a some distortion around this area. Any suggestions on how to 
handle this?


Finally, what would you like to see in a paper as validation for the 
correctness of a model at this resolution and phased by MR? Omit maps of 
key features?



Yes, I am trying to get higher resolution data.
Thanks in advance.

--paul


--
Paul Paukstelis, Ph.D.
Research Associate
Institute for Cellular and Molecular Biology
The University of Texas at Austin
P: 512-471-4778, F: 512-232-3420
[EMAIL PROTECTED]


Re: [ccp4bb] pdb-l: Sequence Location in Protein Tertiary Structure

2007-04-03 Thread Lucas Bleicher
By the way, I'll extend that question: the validation
software Verify3D assigns not only buried state but
also polar fraction and secondary structure, using the
probability of finding given residues in the different
environment defined when combining all this
information to calculate a score of protein regions,
which could identify, for example, sequence
misthreading. The program is rather old (1991) and,
aside from the automated validation site at UCLA
(which just let you upload a PDB and get the scores),
I haven't found a web page for it. Is there available
code to assign residues to one of those environments
and updated probabilities of finding amino acids in
each one?

Lucas

Wei Huang wrote:
 Hi all,

 Do someone know a tool which could identify the
 location of the sequence in
 tertiary structure known protein, that is the
 sequence is on the surface or
 in the
 core? Usually we use visualization tools, such as
 RasMol, VMD, to identify this
 by our eyes. But I don't know whether there are
 tools that we could input PDB
 file and the sequence only, then the computer
 tells us the sequence is on the
 surface or in the core.



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