HI,
I have finally installed the cdk in netbeans5.5 .
And i wish to use the fileconvertor and substructure search application in
my program.
While doing so i got few errors.
1) While converting XYZ file to mol i got this error
java.lang.NumberFormatException: For input string: "C"
at sun.misc.FloatingDecimal.readJavaFormatString(
FloatingDecimal.java:1224)
at java.lang.Double.valueOf(Double.java:447)
at java.lang.Double.<init>(Double.java:539)
at org.openscience.cdk.io.XYZReader.readChemFile(XYZReader.java:177)
at org.openscience.cdk.io.XYZReader.read(XYZReader.java:120)
at chemfile.Main.main(Main.java:337)
2 ) Other files are converting well but the connection tabel is not present
in any of the converted file.
though i have kept this boolean true:
applyHAdding = true;
applyHRemoval = true;
apply2DCleanup = true;
apply3DRebonding = true;
3) While doing the substructure search,when i input the smart with
logical operator (ref::
http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html) I got the
warning the "string" is not valid smart.
I have tried the operators , & ; ! .
Please Help me.
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