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3 Commits

Author SHA1 Message Date
Peter Schmidtke
9c7be61644 Merge pull request #86 from jordansafer/master
Fix header typo for easier parsing
2023-02-22 04:16:15 -05:00
Peter Schmidtke
f05cdb7cdd Merge pull request #97 from Discngine/mypocket
Adding support for definition of explicit pockets
2023-02-22 04:04:43 -05:00
Jordan Safer
5ef19079e9 Fix header typo for easier parsing 2022-10-11 12:18:32 -04:00

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@@ -607,7 +607,7 @@ void write_pocket_pdb(const char out[], s_pocket *pocket) {
fprintf(f, "HEADER 7 - Polarity Score : %5d\n", pocket->pdesc->polarity_score);
fprintf(f, "HEADER 8 - Amino Acid based volume Score : %.4f\n", pocket->pdesc->volume_score);
fprintf(f, "HEADER 9 - Pocket volume (Monte Carlo) : %.4f\n", pocket->pdesc->volume);
fprintf(f, "HEADER 10 -Pocket volume (convex hull) : %.4f\n", pocket->pdesc->convex_hull_volume);
fprintf(f, "HEADER 10 - Pocket volume (convex hull) : %.4f\n", pocket->pdesc->convex_hull_volume);
fprintf(f, "HEADER 11 - Charge Score : %5d\n", pocket->pdesc->charge_score);
fprintf(f, "HEADER 12 - Local hydrophobic density Score : %.4f\n", pocket->pdesc->mean_loc_hyd_dens);
fprintf(f, "HEADER 13 - Number of apolar alpha sphere : %5d\n", pocket->nAlphaApol);