Topic | Replies | Views | Activity | |
---|---|---|---|---|
Welcome to the ChemShell forum
|
![]() ![]() |
1 | 542 | 13 September 2022 |
Py-chemshell 21.0.3 test |
![]() ![]() ![]() ![]() |
15 | 129 | 19 July 2023 |
Dealing with dummy atoms from Amber in ChemShell |
![]() |
0 | 77 | 14 July 2023 |
Chemshell 21.0.3 compilation problem |
![]() ![]() |
2 | 108 | 21 June 2023 |
Rate calculations with Py-ChemShell |
![]() ![]() |
2 | 176 | 6 June 2023 |
Parallel build validation of Tcl-Chemshell |
![]() ![]() |
3 | 157 | 2 June 2023 |
Frequency calculations |
![]() |
0 | 123 | 25 May 2023 |
Potential issue with chemsh --debug flag in Py-ChemShell 21.0.2 parallel version |
![]() ![]() |
1 | 232 | 27 February 2023 |
Convert cluster object back to cif |
![]() ![]() |
1 | 120 | 13 February 2023 |
Bash: chemsh: command not found |
![]() ![]() |
2 | 145 | 6 January 2023 |
Tool for automatically adding hydrogen atoms to dangling bonds
|
![]() ![]() |
1 | 613 | 8 November 2022 |
Gradient calculation in Tcl-ChemShell |
![]() ![]() |
2 | 203 | 3 November 2022 |
Compiling Py-ChemShell 21.0 without pip |
![]() |
0 | 220 | 20 October 2022 |