subject:"\[Cdk\-user\] Abbreviated Amino Acids in SDF"

Re: [Cdk-user] Abbreviated Amino Acids in SDF

2012-01-22 Thread Egon Willighagen

Lochana, On Tue, Jan 17, 2012 at 6:08 PM, lochana menikarachchi wrote: > I have a sdf file with abbreviated amino acids..The CDK SDF readers seem to > read this molecule but fails to write it back in SDF format..Is there anyway > to expand these abbreviations?? Any other library or workaround?? T

[Cdk-user] Abbreviated Amino Acids in SDF

2012-01-17 Thread lochana menikarachchi

I have a sdf file with abbreviated amino acids..The CDK SDF readers seem to read this molecule but fails to write it back in SDF format..Is there anyway to expand these abbreviations?? Any other library or workaround?? The SDF is attached. Thanks. abbrAA.sdf Description: Binary data --