[Open Babel] The SMILES of Hip (protonated Histine) is wrong ?

The SMILES given by Open Babel for the Hip (protonated Histine), coordinates shown below, is "CCC1=CNCN1". >From the coordinates, it should be easily seen that Hip (protonated Histine) is +1 charge. However, from the SMILES, this informatio

Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ?

-3 [via Open Babel] Sent: Thursday, May 15, 2014 10:32 AM To: Jiaguo Subject: Re: The SMILES of Hip (protonated Histine) is wrong ? Hi, Yes, I think there is something wrong. When I convert the smiles of protonated imidazole (the ring of histidine) in mol2, only one hydrogen is keeped: [H][N

Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ?

wishes, Jiaguo From: Pascal Muller-3 [via Open Babel] Sent: Thursday, May 15, 2014 3:46 PM To: Jiaguo Subject: Re: The SMILES of Hip (protonated Histine) is wrong ? Hi, Could you help to comment on how to obtain OpenBabel v2.2.3 binaries on the latest CentOS 5 and 6 ? I compiled v2.2.3

Re: [Open Babel] The SMILES of Hip (protonated Histine) is wrong ?

, Jiaguo From: Pascal Muller-3 [via Open Babel] Sent: Thursday, May 15, 2014 3:46 PM To: Jiaguo Subject: Re: The SMILES of Hip (protonated Histine) is wrong ? Hi, Could you help to comment on how to obtain OpenBabel v2.2.3 binaries on the latest CentOS 5 and 6 ? I compiled v2.2.3 like