The NanoCap Database

Local Database

NanoCap currently keeps a persistent local database to store previously generated structures. This is an SQLite database and by default is stored in the users home directory as:

.nanocap/nanocap.db

The current state of the database can be determined using the GUI version of NanoCap or using an independent SQL client, such as sqlite3:

bash-3.2$ sqlite3 ~/.nanocap/nanocap.db
SQLite version 3.7.13 2012-06-11 02:05:22
Enter ".help" for instructions
Enter SQL statements terminated with a ";"
sqlite> .headers on;
sqlite> .mode column
sqlite> select id,type,Natoms,energy,ff_id from carbon_lattices
   ...> where type="Fullerene" and ff_id="EDIP";
id          type        natoms      energy            ff_id               
----------  ----------  --------  ----------------  --------------------
11          Fullerene   220       -1550.4155355469  EDIP                   
50          Fullerene   200       -1403.7245939477  EDIP                
51          Fullerene   200       -1403.5958295534  EDIP                
52          Fullerene   200       -1404.0657391286  EDIP                
53          Fullerene   200       -1402.8514086776  EDIP                
54          Fullerene   200       -1403.3230258698  EDIP                
55          Fullerene   200       -1404.3263445713  EDIP                
56          Fullerene   200       -1403.4800906205  EDIP                
57          Fullerene   200       -1404.3965982273  EDIP                
58          Fullerene   200       -1404.1298467551  EDIP                
59          Fullerene   200       -1403.4657122674  EDIP                
64          Fullerene   200       -1403.7245939160  EDIP    

Online Database

Coming soon...