Commit a853da84 authored by Terlouw, Barbara's avatar Terlouw, Barbara
Browse files

Update README.md

parent d2a2a5cd
......@@ -43,9 +43,9 @@ turterra
|--smiles.tsv
|--structure_alignment.fasta
|--structures
|--sequence1_model.pdb
|--sequence2.pdb
|--sequence3_model.pdb
|--accession1_model.pdb
|--accession2.pdb
|--accession3_model.pdb
|--...
|--tree.txt
```
......@@ -56,6 +56,9 @@ turterra
| sequences.fasta | A .fasta file containing all the sequences in the analysis, with the accessions specified in data.txt as headers. |
| sequence_alignment.fasta | A .fasta file containing an alignment of all sequences in the analysis, with the accessions specified in data.txt as headers. |
| smiles.tsv | A tab-separated file, with as header 'Name\tSMILES', and all compounds names in the analysis and their corresponding structures in [SMILES format](http://opensmiles.org/opensmiles.html). |
| structure_alignment.fasta | A .fasta file containing a structure-based sequence alignment of all sequences in the analysis, with the accessions specified in data.txt as headers. We recommend you create this file with [caretta](https://github.com/TurtleTools/caretta) through turterra-build. |
| structures | Directory containing structural (homology) models for sequences in the analysis in .pdb format. File names should have the format 'accession_model.pdb' for homology-modelled structures, and 'accession.pdb' for crystal structures. Accessions should match the accessions in data.txt. |
| tree.txt | A phylogenetic tree in newick format. Leaf nodes should be labelled with the accessions specified in data.txt. |
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment