22[ ![ Generic badge] ( https://img.shields.io/badge/version-1.0.0-blue.svg )] ( https://shields.io/ )
33[ ![ DOI] ( https://zenodo.org/badge/DOI/10.5281/zenodo.7023191.svg )] ( https://doi.org/10.5281/zenodo.7023191 )
44
5- ![ POEM] ( ./docs/_img/poem_toc_jm2c00931_0011.jpg )
6-
5+ <p align =" center " >
6+ ![ POEM] ( ./docs/_img/poem_toc_jm2c00931_0011.jpg )
7+ </p >
78
89
910## Description
@@ -75,7 +76,7 @@ Outputs:
7576` <path_to_your_ichem>/IChem ../cdk8_structures/5hbh_protein.mol2 <fragment>.mol2 > <fragment>.ifp ` <br >
7677
7778Outputs:
78- - sdf available on [ zenodo] ( https://zenodo.org/record/7023191 )
79+ - interactions available on [ zenodo] ( https://zenodo.org/record/7023191 )
7980- interactions file: cfh_xx_fragN.ifp
8081<br >
8182
@@ -93,7 +94,7 @@ current directory: `aligned_fragments` containing data from steps 1-3 <br>
9394
9495assignment of CDK8 areas <br >
9596` conda deactivate ` <br >
96- ` conda activate delinker ` (state of our conda env: envs/delinker.yml)<br >
97+ ` conda activate delinker ` (state of our conda env: ` envs/delinker.yml ` )<br >
9798` python ../scripts/select_fragments_round1.py -f ../output_files/procare_scores.tsv -d . -p ../cdk8_structures/5hbh_protein.mol2 -c ../cdk8_structures/5hbh_cavityALL_p0-p1-p6.mol2 ` <br >
9899
99100Outputs: <br >
@@ -201,11 +202,13 @@ Output:
201202
202203
203204## Help and issues
205+
206+ ##### Signal issues
204207https://github.com/kimeguida/POEM/issues
205208
206209##### Support contacts
207- Merveille Eguida: keguida'[ at] 'unistra[ dot] fr
208- Didier Rognan, PhD: rognan'[ at] 'unistra[ dot] fr
210+ Merveille Eguida: keguida'[ at] 'unistra' [ dot] ' fr
211+ Didier Rognan, PhD: rognan'[ at] 'unistra' [ dot] ' fr
209212
210213
211214## Prospective applications
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