Khodor HANNOUSH

Removed all dependencies with pydca for the moment

...@@ -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
......