![]() :: There are 3 providers available for avogadro:ġ) avogadro 2) avogadro-git 3) avogadro-git-eigen3ĭidn’t install it because this machine is my work machine. Open Chemistry Avogadro 2 - GitHub AVOGADRO - 2 (Importing from PDB). To try installation I did $ yay -S avogadro Avogadro / News: Avogadro2 0.8.0 Released Download Avogadro2 for Mac MacUpdate Web25. Libraries that provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas Avogadro version: Avogadrolibs: 1.95.1 Qt: 5.15.2 Desktop version: OS: Fedora Version: 34 Compiler (if you built from source) GCC-11.2.1 Describe the bug I have compiled Avogadro2 from source and installed the i18n files into the. The error occurs since it uses which to find xtb, while xtb is not in PATH.Molecule editor and visualizer designed for cross-platform useĪur/avogadrolibs-git 1.93.0.r1846.cdfdf9bd-1 (+2 0.00)Īur/avogadro2-git 1.93.0.r428.59c4dbd-1 (+5 0.00)Įxtra/avogadrolibs 1.93.0-4 (2.3 MiB 13.7 MiB) ScriptLoader::queryProgramName: Unable to retrieve program name for "/usr/lib/avogadro2/scripts/charges/xtb.py" "Error running script '/usr/bin/python3 /usr/lib/avogadro2/scripts/charges/xtb.py -display-name -lang en_US': Abnormal exit status 1 (Unknown error.: Unknown error)\n\nOutput:\nTraceback (most recent call last):\n File \"/usr/lib/avogadro2/scripts/charges/xtb.py\", line 100, in \n raise RuntimeError(\"xtb is unavailable\")\nRuntimeError: xtb is unavailable\n"ĭesktop (please complete the following information): ![]() ScriptLoader::queryProgramName: Unable to retrieve program name for "/usr/lib/avogadro2/scripts/charges/antechamber.py" "Error running script '/usr/bin/python3 /usr/lib/avogadro2/scripts/charges/antechamber.py -display-name -lang en_US': Abnormal exit status 1 (Unknown error.: Unknown error)\n\nOutput:\nTraceback (most recent call last):\n File \"/usr/lib/avogadro2/scripts/charges/antechamber.py\", line 151, in \n raise RuntimeError(\"antechamber is unavailable\")\nRuntimeError: antechamber is unavailable\n" Materials for the 2018 Avogadro Users Group Meeting - avogadro-ugm2018/talks/Avogadro2-OpenChemistry.pdf at master OpenChemistry. OBProcess::executeObabel: Running "obabel" "-V"Ĭhecking for "commands" scripts in "/home/kiri/.local/share/OpenChemistry/Avogadro/commands"Ĭhecking for "commands" scripts in "/usr/local/share/OpenChemistry/Avogadro/commands"Ĭhecking for "commands" scripts in "/usr/share/OpenChemistry/Avogadro/commands"Ĭhecking for "commands" scripts in "/usr/bin/./lib/avogadro2/scripts/commands"Ĭhecking for "inputGenerators" scripts in "/home/kiri/.local/share/OpenChemistry/Avogadro/inputGenerators"Ĭhecking for "inputGenerators" scripts in "/usr/local/share/OpenChemistry/Avogadro/inputGenerators"Ĭhecking for "inputGenerators" scripts in "/usr/share/OpenChemistry/Avogadro/inputGenerators"Ĭhecking for "inputGenerators" scripts in "/usr/bin/./lib/avogadro2/scripts/inputGenerators"Ĭhecking for "formatScripts" scripts in "/home/kiri/.local/share/OpenChemistry/Avogadro/formatScripts"Ĭhecking for "formatScripts" scripts in "/usr/local/share/OpenChemistry/Avogadro/formatScripts"Ĭhecking for "formatScripts" scripts in "/usr/share/OpenChemistry/Avogadro/formatScripts"Ĭhecking for "formatScripts" scripts in "/usr/bin/./lib/avogadro2/scripts/formatScripts"Ĭhecking for "charges" scripts in "/home/kiri/.local/share/OpenChemistry/Avogadro/charges"Ĭhecking for "charges" scripts in "/usr/local/share/OpenChemistry/Avogadro/charges"Ĭhecking for "charges" scripts in "/usr/share/OpenChemistry/Avogadro/charges"Ĭhecking for "charges" scripts in "/usr/bin/./lib/avogadro2/scripts/charges" OBProcess::executeObabel: Running "obabel" "-L charges" Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science. It is generally a good idea to clone the repository if you intend. Click on the download link, unpack the file and adjust the instructions as necessary. ![]() If you would rather not install Git it is possible to download a tar or zip file containing the latest sources from here. Id really like to figure out why this is happening. Avogadro uses Git for version control, with hosting provided by GitHub. OBProcess::executeObabel: Running "obabel" "-L forcefields" Its not loading any of the formats, so you wont be able to do any of that. OBProcess::executeObabel: Running "obabel" "-L formats write" OBProcess::executeObabel: Running "obabel" "-L formats read"
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