Spaces:
Running
Running
File size: 3,907 Bytes
907b200 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 | <?php
use Illuminate\Database\Migrations\Migration;
use Illuminate\Database\Schema\Blueprint;
use Illuminate\Support\Facades\Schema;
return new class extends Migration
{
public function up(): void
{
Schema::create('md_files', function (Blueprint $table) {
$table->id();
$table->string('experiment_name')->default('default_run');
$table->string('description')->nullable();
// === PDB Files ===
$table->string('SYS_pdb')->nullable();
$table->string('SYS_nw_pdb')->nullable();
$table->string('ligand_H_pdb')->nullable();
$table->string('ligand_gaff_pdb')->nullable();
$table->string('ligand_h_1_pdb')->nullable();
$table->string('ligand_h_nonprot_pdb')->nullable();
$table->string('protein_ligand_pdb')->nullable();
$table->string('prot_lig_equil_pdb')->nullable();
$table->string('starting_end_pdb')->nullable();
// === DCD Files ===
$table->string('prot_lig_equil_dcd')->nullable();
$table->string('prot_lig_prod1_1_nw_dcd')->nullable();
// === CRD Files ===
$table->string('SYS_gaff2_crd')->nullable();
$table->string('SYS_nw_crd')->nullable();
// === PRMTOP Files ===
$table->string('SYS_gaff2_prmtop')->nullable();
$table->string('SYS_nw_prmtop')->nullable();
// === RST Files ===
$table->string('prot_lig_equil_rst')->nullable();
// === Input Files ===
$table->string('prepareforleap_in')->nullable();
$table->string('tleap_in')->nullable();
$table->string('lig_lib')->nullable();
$table->string('ligand_frcmod')->nullable();
$table->string('ligand_mol2')->nullable();
$table->string('ligand_h_renum_txt')->nullable();
$table->string('ligand_h_sslink')->nullable();
// === Log Files ===
$table->string('prot_lig_equil_log')->nullable();
// === CSV Files ===
$table->string('_2D_rmsd_csv')->nullable();
$table->string('Interaction_energy_eelec_csv')->nullable();
$table->string('Interaction_energy_evdw_csv')->nullable();
$table->string('PC1_csv')->nullable();
$table->string('PC2_csv')->nullable();
$table->string('cross_correlation_csv')->nullable();
$table->string('distance_csv')->nullable();
$table->string('distance_select_csv')->nullable();
$table->string('radius_gyration_csv')->nullable();
$table->string('rmsd_ca_csv')->nullable();
$table->string('rmsf_ca_csv')->nullable();
// === PNG Files ===
$table->string('_2D_rmsd_png')->nullable();
$table->string('Interaction_energy_png')->nullable();
$table->string('PCA_png')->nullable();
$table->string('PCA_dist_png')->nullable();
$table->string('cross_correlation_png')->nullable();
$table->string('distance_png')->nullable();
$table->string('distance_select_png')->nullable();
$table->string('radius_gyration_png')->nullable();
$table->string('radius_gyration_dist_png')->nullable();
$table->string('rmsd_ca_png')->nullable();
$table->string('rmsd_dist_png')->nullable();
$table->string('rmsf_ca_png')->nullable();
// === HTML Files ===
$table->string('Interaction_html')->nullable();
$table->string('initial_html')->nullable();
// === DAT Files ===
$table->string('FINAL_RESULTS_MMPBSA_dat')->nullable();
$table->timestamps();
});
}
public function down(): void
{
Schema::dropIfExists('md_files');
}
};
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