Re: [Open Babel] Error to load pybel

2019-11-10 Thread Francois Berenger
On 10/11/2019 08:51, Matthew Swain via OpenBabel-discuss wrote: The homebrew open-babel package requires python also from homebrew, which somehow has been uninstalled (did you run “brew uninstall --ignore-dependencies python”?). I presume “brew install python” will More precisely: ``` brew

Re: [Open Babel] Access OBElementTable from C# binding OBDotNet.dll

2019-11-10 Thread Maciek Wójcikowski
Hi Chengxi, All methods of ElementsTable() class are right now in the openbabel.openbabel namespace. E.g. if you used to have "openbabel.OBElementTable().GetVdwRad(1)" you should change it to "openbabel.GetVdwRad(1)" now. Remember that openbabel and pybel are located both in openbabel namespace,

Re: [Open Babel] Using Openbabel with a New Package

2019-11-10 Thread Asem Alenaizan
Good news! Thank you very much, Asim From: Matthew Swain Sent: Saturday, November 9, 2019 6:30 PM To: Noel O’Boyle Cc: Asim Alenaizan; Geoffrey Hutchison; openbabel-discuss@lists.sourceforge.net Subject: Re: [Open Babel] Using Openbabel with a New Package Conda packages for Windows (and also

[Open Babel] Access OBElementTable from C# binding OBDotNet.dll

2019-11-10 Thread Yang, Chengxi
Hi Openbabel Team, I noticed that you have removed the OBElementTable class in 3.0.0. In you documentation, you mentioned it is replaced by OBElement namespace. I am wondering how can I access this namespace from the csharp binding. Thank, Chengxi ___

[Open Babel] Terminal ring representation using SMARTS

2019-11-10 Thread LJ
How to find out the terminal ring (ring having no connections with any other ring) using SMARTS notation? -- Sent from: http://forums.openbabel.org/General-discussion-f3090658.html ___ OpenBabel-discuss mailing list