Hi Rolf,
I didn't get any error running the command, but the output file is like
below. 1000041.cif is under the folder of jmol. Do you have any clue what
was wrong?
Thanks.
Jing
(C) 2012 Jmol Development
Jmol Version: 14.2.9_2014.11.23 2014-11-23 16:45
java.vendor: Java: Oracle Corporation
java.version: Java 1.8.0_25
os.name: Windows 7
Access: ALL
memory: 7.0/16.3
processors available: 4
useCommandThread: false
Executing script: load 1000041.cif packed;getProperty atomInfo
Executing script: ;exitJmol;
FileManager.getAtomSetCollectionFromFile(1000041.cif)
cacheGet file:/C:/MAMP/htdocs/Kinari2_Resources/External/jmol/1000041.cif
false
cacheGet file:/C:/MAMP/htdocs/Kinari2_Resources/External/jmol/1000041.cif
false
FileManager opening 2
C:\MAMP\htdocs\Kinari2_Resources\External\jmol\1000041.cif
The Resolver thinks Cif
On Thu, Feb 5, 2015 at 9:48 AM, Jing Xie <sandie.b...@gmail.com> wrote:
> Many thanks, Rolf!
>
> On Thu, Feb 5, 2015 at 4:58 AM, Rolf Huehne <rhue...@fli-leibniz.de>
> wrote:
>
>> On 02/05/2015 03:09 AM, Jing Xie wrote:
>> > Hi,
>> >
>> > I am able to use command line to execute jmol.jar and execute some jmol
>> > command to get some output files. For example, I can get atomIno from
>> the
>> > comman " C:\MAMP\htdocs\Kinari2_Resources\External\jmol>java -jar
>> > "jmol.jar" -x -n "1000041.cif" -J "getProperty atomInfo" -o>
>> > "outputAtomInfo.txt" " . But I think this output file is based on
>> original
>> > visulization, i.e. "load xxxxxxx.cif". Is there some code to get
>> atomInfo
>> > from "load xxxxxxx.cif packed" visualization?
>> >
>> Moving the load command into the '-J' option should work:
>>
>> java -jar "jmol.jar" -x -n -J 'load 1000041.cif packed; getProperty
>> atomInfo' > outputAtomInfo.txt
>>
>> Regards,
>> Rolf
>> --
>>
>> Rolf Huehne
>> Postdoc
>>
>> Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI)
>> Beutenbergstrasse 11
>> 07745 Jena, Germany
>>
>> Phone: +49 3641 65 6205
>> Fax: +49 3641 65 6210
>> E-Mail: rhue...@fli-leibniz.de
>> Website: http://www.fli-leibniz.de
>>
>> Scientific Director: Prof. Dr. K. Lenhard Rudolph
>> Head of Administration: Dr. Daniele Barthel
>> Chairman of Board of Trustees: Dennys Klein
>>
>> VAT No: DE 153 925 464
>> Register of Associations: No. 230296, Amtsgericht Jena
>> Tax Number: 162/141/08228
>>
>>
>>
>> ------------------------------------------------------------------------------
>> Dive into the World of Parallel Programming. The Go Parallel Website,
>> sponsored by Intel and developed in partnership with Slashdot Media, is
>> your
>> hub for all things parallel software development, from weekly thought
>> leadership blogs to news, videos, case studies, tutorials and more. Take a
>> look and join the conversation now. http://goparallel.sourceforge.net/
>> _______________________________________________
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>
>
------------------------------------------------------------------------------
Dive into the World of Parallel Programming. The Go Parallel Website,
sponsored by Intel and developed in partnership with Slashdot Media, is your
hub for all things parallel software development, from weekly thought
leadership blogs to news, videos, case studies, tutorials and more. Take a
look and join the conversation now. http://goparallel.sourceforge.net/
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
