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4 deletions
... | @@ -2681,13 +2681,13 @@ def work_pssm_remap(f): | ... | @@ -2681,13 +2681,13 @@ def work_pssm_remap(f): |
2681 | 2681 | ||
2682 | data = [(f, j, cm_coords[j-1]) + tuple(pssm_info[:,j-1]) + (consensus[j-1], cm_2d[j-1]) for j in sorted(columns_to_save)] | 2682 | data = [(f, j, cm_coords[j-1]) + tuple(pssm_info[:,j-1]) + (consensus[j-1], cm_2d[j-1]) for j in sorted(columns_to_save)] |
2683 | sql_execute(conn, """INSERT INTO align_column (rfam_acc, index_ali, cm_coord, freq_A, freq_C, freq_G, freq_U, freq_other, gap_percent, consensus, cons_sec_struct) | 2683 | sql_execute(conn, """INSERT INTO align_column (rfam_acc, index_ali, cm_coord, freq_A, freq_C, freq_G, freq_U, freq_other, gap_percent, consensus, cons_sec_struct) |
2684 | - VALUES (?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?) ON CONFLICT(rfam_acc, index_ali) DO | 2684 | + VALUES (?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?) ON CONFLICT(rfam_acc, index_ali) DO |
2685 | UPDATE SET cm_coord=excluded.cm_coord, freq_A=excluded.freq_A, freq_C=excluded.freq_C, freq_G=excluded.freq_G, freq_U=excluded.freq_U, | 2685 | UPDATE SET cm_coord=excluded.cm_coord, freq_A=excluded.freq_A, freq_C=excluded.freq_C, freq_G=excluded.freq_G, freq_U=excluded.freq_U, |
2686 | freq_other=excluded.freq_other, | 2686 | freq_other=excluded.freq_other, |
2687 | gap_percent=excluded.gap_percent, consensus=excluded.consensus, cons_sec_struct=excluded.cons_sec_struct;""", many=True, data=data) | 2687 | gap_percent=excluded.gap_percent, consensus=excluded.consensus, cons_sec_struct=excluded.cons_sec_struct;""", many=True, data=data) |
2688 | # Add an unknown values column, with index_ali 0 (for nucleotides unsolved in 3D giving a gap '-' but found facing letter in the alignment) | 2688 | # Add an unknown values column, with index_ali 0 (for nucleotides unsolved in 3D giving a gap '-' but found facing letter in the alignment) |
2689 | sql_execute(conn, f"""INSERT OR IGNORE INTO align_column (rfam_acc, index_ali, cm_coord, freq_A, freq_C, freq_G, freq_U, freq_other, | 2689 | sql_execute(conn, f"""INSERT OR IGNORE INTO align_column (rfam_acc, index_ali, cm_coord, freq_A, freq_C, freq_G, freq_U, freq_other, |
2690 | - fields_A, fields_C, fields_G, fields_U, gap_percent, consensus, cons_sec_struct) | 2690 | + gap_percent, consensus, cons_sec_struct) |
2691 | VALUES (?, 0, NULL, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, '-', NULL);""", data=(f,)) | 2691 | VALUES (?, 0, NULL, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, '-', NULL);""", data=(f,)) |
2692 | 2692 | ||
2693 | 2693 | ||
... | @@ -2734,8 +2734,8 @@ def work_save(c, homology=True): | ... | @@ -2734,8 +2734,8 @@ def work_save(c, homology=True): |
2734 | if homology: | 2734 | if homology: |
2735 | df = pd.read_sql_query(f""" | 2735 | df = pd.read_sql_query(f""" |
2736 | SELECT index_chain, old_nt_resnum, nt_position, nt_name, nt_code, nt_align_code, cm_coord, | 2736 | SELECT index_chain, old_nt_resnum, nt_position, nt_name, nt_code, nt_align_code, cm_coord, |
2737 | - is_A, is_C, is_G, is_U, is_other, freq_A, freq_C, freq_G, freq_U, freq_other, fields_A, fields_C, fields_G, | 2737 | + is_A, is_C, is_G, is_U, is_other, freq_A, freq_C, freq_G, freq_U, freq_other, |
2738 | - fields_U, gap_percent, consensus, cons_sec_struct, dbn, paired, nb_interact, pair_type_LW, pair_type_DSSR, | 2738 | + gap_percent, consensus, cons_sec_struct, dbn, paired, nb_interact, pair_type_LW, pair_type_DSSR, |
2739 | alpha, beta, gamma, delta, epsilon, zeta, epsilon_zeta, chi, bb_type, glyco_bond, form, ssZp, Dp, | 2739 | alpha, beta, gamma, delta, epsilon, zeta, epsilon_zeta, chi, bb_type, glyco_bond, form, ssZp, Dp, |
2740 | eta, theta, eta_prime, theta_prime, eta_base, theta_base, | 2740 | eta, theta, eta_prime, theta_prime, eta_base, theta_base, |
2741 | v0, v1, v2, v3, v4, amplitude, phase_angle, puckering FROM | 2741 | v0, v1, v2, v3, v4, amplitude, phase_angle, puckering FROM | ... | ... |
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