What is the recommended method for storing IAtomContainers in a database.
Serialize? MDL Strings?
Is there anyway to get the MDLV2000 representation as a String from
IAtomContainer?? --
October Webinars: Code for
On Tue, Sep 24, 2013 at 10:14 PM, lochana menikarachchi
locha...@yahoo.com wrote:
Is there anyway to get the MDLV2000 representation as a String from
IAtomContainer??
Yes, use the Java StringWriter (pseudo code):
StringWriter strWriter = new StringWriter();
writer =new
Since I have played around with this for a fairly long time, here some of
my observations:
- loading lots (thousands) of molfiles from relation databases is quiet slow
- converting and full configuring Atomcontainers from molfiles is a very
expensive operation
- AtomContainers use a lot of memory
On 25 September 2013 08:03, Joos Kiener j...@sunrise.ch wrote:
Since I have played around with this for a fairly long time, here some of
my observations:
- loading lots (thousands) of molfiles from relation databases is quiet
slow
The slow part is not reading molfile from the database,
4 matches
Mail list logo