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.dbThe 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...