[Open Babel] sdf M-block

2013-10-04 Thread Mezei, Mihaly
Greetings, I was trying to convert an sdf file to mol2 format with openbabel, but it found that the line M CHG 2 3 1 6 -1 is illegal. Is there a way to make openbabel understand this line? Thanks, regards, Mihaly Mezei Department of Structural and Chemical Biology, Icahn School of M

[Open Babel] SDF M-block

2013-10-04 Thread Mihaly Mezei
Greetings, I was trying to convert an sdf file to mol2 format with openbabel, but it found that the line M CHG 2 3 1 6 -1 is illegal. Is there a way to make openbabel understand this line? Thanks, regards, Mihaly Mezei

Re: [Open Babel] SDF M-block

2013-10-07 Thread Geoffrey Hutchison
> M CHG 2 3 1 6 -1 > > is illegal. Is there a way to make openbabel understand this line? What on earth is it trying to indicate? It seems like you have a lot of non-standard SDF files. What is the source? -Geoff