cxcalc hydrgens not connected

Dear readers,





I get:


> cxcalc shortestpath -a 1-2 coord.mol


id Shortest path


1 0


>





with: coord.mol:


coord.xyz


OpenBabel11050813D





2 0 0 0 0 0 0 0 0 0999 V2000


0.0000 0.0000 0.0000 H 0 0 0 0 0


1.0000 0.0000 0.0000 H 0 0 0 0 0


M END





So it returns for 1 or 2 as hydrogen atoms always 0 - why that? How to circumvent this? When i replace H by F it works but thats not so elegant I feel.








Sorry for the maybe stupid question I'm, exteremly new - however after one afternoon of searching the forum/documentations/web I gave up...

Hi,





Please attach the molfile as attachment.





Zsolt

here you are.





It is also the same for benzene molfiles and various others. I generate those using babel:


> babel -ixyz coord.xyz -omol coord.mol

and one benzene example:

Thank you for reporting this problem, we will correct it in the next debug version, that can be expected around the end of this year.

Hello Gyuri,





oh thats fine. So meanwhile I'll use sed 's/\ H\ /\ F \ /g'





best regards

I am sorry, this bug has not been corrected yet, it is currently scheduled for the next major release.