Problems generating nitrate parameters

[krlitros87]

• [ ] I believe this to be a bug with LigParGen
• [ ] This is a feature request

Issue Information

Software name & Version :LigParGen Method:LigParGen

Expected Behavior

Dear all I'm to generate the parameters of nitrate. For that, I have created several .mol (even using the Draw molecule module here) as well as using the SMILE nomenclature without luck.

Actual Behavior

When using SMILES I'm getting the following error: export BOSSdir=/var/www/html/ligpargen/apps/boss-4.9;/var/www/html/ligpargen/apps/anaconda2/bin/python2.7 /var/www/html/ligpargen/apps/ligpargenCode/Converter.py -s 'O=N(=O)[O-]' -r UNK -o 0 -c -1 > /tmp/errorServer.log Problem found in the file format. Please, check the input file. In case you are not able to find the error we suggests to use the SMILE code

While, when using a mol file I'm getting the following error: Found residue ligand UNK Unknown error. Please, check the input file. If you are not able to find the error, we suggests to use the SMILE code