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added test2/ for testing updated foldx script

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Tanushree Tunstall 2021-02-10 10:16:28 +00:00
parent c8feba90bc
commit 3280cdb2a1
6 changed files with 240045 additions and 0 deletions
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3
foldx/test2/test2_output/gid_foldx.csv Normal file
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mutationinformation,ddg,contacts,electro_rr,electro_mm,electro_sm,electro_ss,disulfide_rr,disulfide_mm,disulfide_sm,disulfide_ss,hbonds_rr,hbonds_mm,hbonds_sm,hbonds_ss,partcov_rr,partcov_mm,partcov_sm,partcov_ss,vdwclashes_rr,vdwclashes_mm,vdwclashes_sm,vdwclashes_ss,volumetric_rr,volumetric_mm,volumetric_sm,volumetric_ss
S2C,0.30861700000000003,-2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-1.0,-1.0,0.0,0.0
S2F,-0.6481899999999999,-8.0,-4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,-1.0,-1.0,0.0,0.0
1 mutationinformation ddg contacts electro_rr electro_mm electro_sm electro_ss disulfide_rr disulfide_mm disulfide_sm disulfide_ss hbonds_rr hbonds_mm hbonds_sm hbonds_ss partcov_rr partcov_mm partcov_sm partcov_ss vdwclashes_rr vdwclashes_mm vdwclashes_sm vdwclashes_ss volumetric_rr volumetric_mm volumetric_sm volumetric_ss
2 S2C 0.30861700000000003 -2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1.0 -1.0 0.0 0.0
3 S2F -0.6481899999999999 -8.0 -4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -1.0 -1.0 0.0 0.0