1 to 10 of 10 Results
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MD5: b0a2caadbfb0c6ae3e16e468810d8c2e
Follow-up python script for "Analysis_Contact_Maps.py" |
Plain Text - 8.1 KB -
MD5: 7bf709c86e3e19e740e6f74ca723efa6
Python script to analyse the contacts of a trajectory (needs follow up script "Analysis_Contact_Maps_Analysis.py"). |
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MD5: 083105216742702a9cd08fca114b8106
Python script to analyse the unfolding behavior of a peptide in a sMD simulation. |
Plain Text - 7.1 KB -
MD5: be9e0a85075a865bc8c8b9fab8f9f8bb
Python script to analyse the correlation of RMSD and C-to-N-terminal distance of a trajectory. Intentionally used for sMD. (optional script) |
Plain Text - 3.6 KB -
MD5: 56825bb781e96d9e4ac27d37222b7931
Python script to analyse the SN2 transition states in a trajectory. |
Plain Text - 1.4 KB -
MD5: 52c57eb9028afc94ccc2504c680e1ef6
Python script to analyse the output of the enspara output files (generated with "Enspara_Command.txt") |
Plain Text - 642 B -
MD5: 25782c1c72742bed83986eab713de328
Command line input for the enspara python library. Needs follow up from "Enspara_Clustering_Analysis.py". |
Plain Text - 7.2 KB -
MD5: c647bc59527d69986f4c89f3da39669d
Python script for the production of peptide in solution MD simulation trajectories. |
Plain Text - 13.5 KB -
MD5: d90ac856931817507afa24516f17142c
Python script for the production of enzyme-peptide complex MD simulation trajectories. |
Plain Text - 17.5 KB -
MD5: 475202d1a38ec4bbdae9527e1514024b
Python script for the production of peptide-enzyme association sMD simulation trajectories. |