snapshot notes without licence statements

raw/macrocycle-db/SNAPSHOT.md

@@ -0,0 +1,35 @@
+# Macrocycle-DB bulk snapshot
+
+Fetched 2026-09-30 (UTC 2026-09-30T23:55Z .. 2026-10-01T00:07Z) from `https://macro-db.dpbio.tech/Downloads/<file>`
+by `scripts/macrocycledb/download_raw.slurm`; every file is re-hosted **byte-identically**, each with its full HTTP
+response headers in `<file>.headers`.
+
+**Snapshot identity.** Macrocycle-DB publishes no version string, changelog or deposit. The snapshot id is the
+set of HTTP `last-modified` stamps below (four distinct stamps, Thu 03 Sep 2026 02:22:59 -- 02:23:10 GMT) plus the
+sha256 of every file. `Synthetic Macrocycles.csv`, linked from the site's Download page, returned **HTTP 404**
+(`SYNTHETIC_404.txt`); its rows are the `M_type == 'Synthetic Macrocycle'` rows of `All.csv`.
+
+| file | bytes | last-modified | sha256 |
+|---|---|---|---|
+| `All.csv` | 29,098,367 | Thu, 03 Sep 2026 02:22:59 GMT | `ab571540eedf8f736665335071180bc06db91077f4161882489482d3ce87edfa` |
+| `Biological Activities.csv` | 4,608,892 | Thu, 03 Sep 2026 02:22:59 GMT | `5f1c8157dab063fb52dd16088013b2493544d92023e5e761dd665ab9811e1bc7` |
+| `Cyclic Peptides.csv` | 3,623,331 | Thu, 03 Sep 2026 02:23:00 GMT | `8b62c07ce49837ae735599fa1c3033655d53a6d6cf1eb89e9104e0645cdc7f1a` |
+| `Enzyme.csv` | 401,851 | Thu, 03 Sep 2026 02:23:00 GMT | `d3c0c27b7ea9f3ac9b5656d6e05f20a371e07faadd56f69e9406f8b8611fb97b` |
+| `Epigenetic.csv` | 8,275 | Thu, 03 Sep 2026 02:23:00 GMT | `1c04e29f398d7a49818e80209868d9fe9b285683d4ace964e9e62baaae709b10` |
+| `FDA-approve_drug.csv` | 20,677 | Thu, 03 Sep 2026 02:23:00 GMT | `758b38c6302b5572a58c31bb12f46562250c6ffcc274f8cf8ad2c6d372a79199` |
+| `GPCR.csv` | 133,371 | Thu, 03 Sep 2026 02:23:00 GMT | `7638a726de2df32923e7adc6a11889bfbce0ebcbc93580cf5c45330367f89988` |
+| `Ion Channel.csv` | 168,587 | Thu, 03 Sep 2026 02:23:00 GMT | `4c69112a24f8806bba686936ecc0aa12bfa03e49f013a8e4658e238dcb1c50de` |
+| `Kinase.csv` | 944,018 | Thu, 03 Sep 2026 02:23:00 GMT | `60cb5bcfce5e704e287acc85086125dc88978ee43b562e9c6c3803bcb4e55d13` |
+| `Linker.csv` | 244,042 | Thu, 03 Sep 2026 02:23:00 GMT | `899f870fd64f1b400a0f46208c909d6f999f727bf2dad445fdd7f150941cdede` |
+| `Macrocyclic Polyenes.csv` | 51,562 | Thu, 03 Sep 2026 02:23:00 GMT | `7a339827302968eb1666a8824dc0204392a0eb42c3be91ee5c5fd7c497ae65fc` |
+| `Macrolides.csv` | 2,157,161 | Thu, 03 Sep 2026 02:23:00 GMT | `be757cf3a133f25403daba93e671f20d17056c8039a78a53bc152cfb968fccef` |
+| `Nuclear Receptor.csv` | 36,942 | Thu, 03 Sep 2026 02:23:00 GMT | `4bd240c001c92414a1252ef636099c833882b39beb43fd00fbcf950da2685c28` |
+| `Other.csv` | 5,559,517 | Thu, 03 Sep 2026 02:23:00 GMT | `731275fc152e012fbbaedfe60e58eafc231a3df21c0e1fa548ac40f11d7d79c0` |
+| `PDB.csv` | 2,543,886 | Thu, 03 Sep 2026 02:23:00 GMT | `ad1a76a0d3842b5d5bad0468a4a25f7b38031add2cf45a5b336fd64db5868220` |
+| `Porphyrins.csv` | 331,070 | Thu, 03 Sep 2026 02:23:00 GMT | `1ba90d570e874e1ab05f7c9fc29fa705958baf8206559929b4e7e8216e408d1a` |
+| `SDF.zip` | 377,463,927 | Thu, 03 Sep 2026 02:23:09 GMT | `0f023bf0c2d2b11df597671b6c75a083988e6228ec605f632988ce927ec7be46` |
+| `Target-All.csv` | 3,503,901 | Thu, 03 Sep 2026 02:23:09 GMT | `6971b8337b23f4062d2cd8149635a554e8fbcce1102a7d1449ccdc341201c7af` |
+| `Target-Other.csv` | 1,563,097 | Thu, 03 Sep 2026 02:23:10 GMT | `b51fd5a81c68940fa1d475f74c7858b1134c068ca977bc447a345020b7e13177` |
+| `Transcription Factor.csv` | 52,564 | Thu, 03 Sep 2026 02:23:10 GMT | `6736c4e9459fa65e99ec6f74750f6bcdc0a302c09aef916282c9860ea6044492` |
+| `Transporter.csv` | 79,246 | Thu, 03 Sep 2026 02:23:10 GMT | `6ded90640d43f938c7f1a14bcd4038d8b86b8262bc223534f456f56a3b85df99` |
+| `clinical.csv` | 221,678 | Thu, 03 Sep 2026 02:22:59 GMT | `30fa8cc127238844dfa83aca9ac6f0fa4e36d6f5df498ba54a61901da76ba515` |

raw/wwpdb/SNAPSHOT.md

@@ -13,5 +13,4 @@ The PDB is remediated weekly, so the build pins its own snapshot:
 | entries fetched | 2,846 `files.rcsb.org/download/{ID}.cif.gz`, 2,028,260,218 B, fetched 2026-10-01T00:04:44Z .. 2026-10-01T00:16:36Z |
 | entry version identity | `files.rcsb.org` serves **no** `last-modified` header, so each file's own latest `_pdbx_audit_revision_history.revision_date` is recorded (`entry_revision_dates.json`): min 2021-08-18, max 2026-09-30 |
 
-The fetched files are re-hosted as `raw/pdb_entries.tar` so the cut is reproducible after remediation. Coordinates and
-CCD/BIRD chemistry are wwPDB data, **CC0 1.0** (https://www.wwpdb.org/about/usage-policies).
+The fetched files are re-hosted as `raw/pdb_entries.tar` so the cut is reproducible after remediation.