2026-11-04 11:32:03,627 cli_setup:100 INFO - WHISCY 1.6.0: whiscy_setup 1ppe.pdb E --hssp 1ppe
2026-11-04 11:32:03,668 cli_setup:153 INFO - PDB structure with chain E saved to 1ppe_E.pdb
2026-11-04 11:32:03,747 cli_setup:160 INFO - Atom accessibility calculated to 1ppe_E.rsa
2026-11-04 11:32:03,749 cli_setup:164 INFO - Surface and buried residues calculated
2026-11-04 11:32:03,774 cli_setup:177 INFO - HSSP file converted to PHYLIP format
2026-11-04 11:32:03,793 cli_setup:251 INFO - Alignment mapped: 220 of 220 PDB residues, 223 alignment columns
2026-11-04 11:32:04,070 cli_setup:260 INFO - Protdist calculated
2026-11-04 11:32:04,071 cli_setup:267 INFO - Conversion table file generated
2026-11-04 11:32:04,071 cli_setup:269 INFO - Whiscy setup finished
whiscy [INFO] WHISCY 1.6.0: whiscy 1ppe_E.sur 1ppe_E.conv 1ppe_E.phylseq 1ppe_E.out -o 1ppe_E.cons
whiscy [INFO] Parsing surface list...
whiscy [INFO] Loading conversion table...
whiscy [INFO] Converting...
whiscy [INFO] Initializing score calculation...
whiscy [INFO] Calculating scores...
whiscy [INFO] Subtracting average value ...
whiscy [INFO] Sorting scores...
whiscy [INFO] Writing scores...
whiscy [INFO] Prediction written to 1ppe_E.cons
whiscy [INFO] WHISCY 1.6.0: whiscy 1ppe_E.lac 1ppe_E.conv 1ppe_E.phylseq 1ppe_E.out -o 1ppe_E.lcons
whiscy [INFO] Parsing surface list...
whiscy [INFO] Loading conversion table...
whiscy [INFO] Converting...
whiscy [INFO] Initializing score calculation...
whiscy [INFO] Calculating scores...
whiscy [INFO] Subtracting average value ...
whiscy [INFO] Sorting scores...
whiscy [INFO] Writing scores...
whiscy [INFO] Prediction written to 1ppe_E.lcons
consadjust [INFO] WHISCY 1.6.0: whiscy_consadjust 1ppe_E.cons -o 1ppe_E.acons
consadjust [INFO] Reading input files
consadjust [INFO] Subtracting average value...
consadjust [INFO] Sorting scores...
consadjust [INFO] Writing scores...
residue_distance [INFO] WHISCY 1.6.0: whiscy_resdist 1ppe_E.pdb 1ppe_E.conv 1ppe_E.rd
residue_distance [INFO] Reading conversion table
residue_distance [INFO] Reading PDB structure from 1ppe_E.pdb
residue_distance [INFO] Residue distances written to 1ppe_E.rd
parasmooth [INFO] WHISCY 1.6.0: whiscy_parasmooth 1ppe_E.acons 1ppe_E.lcons 1ppe_E.rd -o 1ppe_E.pscons
parasmooth [INFO] Reading input files
parasmooth [INFO] Calculating parameter smoothing
parasmooth [INFO] Result written to 1ppe_E.pscons
whiscy_bfactor [INFO] WHISCY 1.6.0: whiscy_bfactor 1ppe_E.pdb 1ppe_E_whiscy.pdb 1ppe_E.pscons
whiscy_bfactor [INFO] 1ppe_E_whiscy.pdb PDB file with WHISCY scores in B-factor column has been created
whiscy_haddock [INFO] WHISCY 1.6.0: whiscy_haddock 1ppe_E.pdb 1ppe_E.pscons --surface_list 1ppe_E.sur
whiscy_haddock [INFO] Report written to /data/report.html