Regarding JCsearch

User 7f8099df22

26-04-2011 08:42:10

I am using JChem on academic license. I am facing problems in JCsearch commands.


I
have created a database called "2d" using JChemManager. Database is
successfully created and few SDF structures are imported in the
database.


I work on Windows XP. I want to search a query SDF structure for
similarity in the "2d" database and for that I am using the following
command:



jcsearch -q CID_64971.sdf -f sdf DB:2d | mview -f ID -



This command gives the following error.

java.io.BufferedInputStream@15ee671 is not a structure file.



Kindly help me in this regard so that I can perform searching in the database.

User c1ce6b3d19

26-04-2011 11:49:15

Trupti,


The BufferedInputStream error is normally caused when you try to "pipe" an empty file into the mview command. 


Basically, the jcsearch command probably did not find a hit in the database and returned no molecules. 


 


You may want to try other query molecules that you know were imported into the database or confirm that the molecule in CID_64971 is in the database. 


 


Jon