Timeline for Z-matrix of a series of 5 colinear atoms
Current License: CC BY-SA 3.0
4 events
| when toggle format | what | by | license | comment | |
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| Sep 12, 2014 at 18:02 | comment | added | Geoff Hutchison | @F'x Yes, both Open Babel and Avogadro automatically create Z-matrices with "reasonable" physical order. For some definition of reasonable. For your question, I think the answer above is much better - it can be very hard to optimize so many collinear atoms. | |
| Oct 19, 2012 at 20:45 | review | Late answers | |||
| Oct 22, 2012 at 4:43 | |||||
| Jun 8, 2012 at 8:06 | comment | added | F'x | How does that relate to Z-matrices? Can Avogadro or openbabel produce Z-matrices from 3D coordinates? Are they then in “reasonable” physical order? | |
| Jun 8, 2012 at 2:36 | history | answered | Daniel | CC BY-SA 3.0 |