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add coordination bond
CI #1375: Commit 13e3906 pushed by jamesmkrieger
September 18, 2024 15:20 31m 41s spc_as_water
September 18, 2024 15:20 31m 41s
actually SOL CU2P CU2 in flag and docs
CI #1374: Commit e592c58 pushed by jamesmkrieger
September 18, 2024 10:53 33m 55s spc_as_water
September 18, 2024 10:53 33m 55s
update flag docs for SOL
CI #1373: Commit 2106747 pushed by jamesmkrieger
September 18, 2024 10:41 32m 11s spc_as_water
September 18, 2024 10:41 32m 11s
add SOL to water
CI #1372: Commit fb543f5 pushed by jamesmkrieger
September 18, 2024 09:13 31m 48s spc_as_water
September 18, 2024 09:13 31m 48s
more general top for convert xtc
CI #1371: Commit bc8943c pushed by jamesmkrieger
September 17, 2024 11:54 33m 16s convert_xtc_top
September 17, 2024 11:54 33m 16s
better memory
CI #1370: Commit 13a2e7d pushed by jamesmkrieger
September 16, 2024 09:36 32m 1s jmk_watFinder
September 16, 2024 09:36 32m 1s
fix missing fstring
CI #1369: Commit 3dd24b9 pushed by jamesmkrieger
September 13, 2024 16:45 36m 12s spc_as_water
September 13, 2024 16:45 36m 12s
move considered_atoms_sel to get WB stat info
CI #1368: Commit f71e55c pushed by jamesmkrieger
September 13, 2024 16:38 9m 3s spc_as_water
September 13, 2024 16:38 9m 3s
add considered_atoms_sel to calc WB statistics
CI #1367: Commit 8ca0e2a pushed by jamesmkrieger
September 13, 2024 16:28 32m 1s spc_as_water
September 13, 2024 16:28 32m 1s
fix 2 considered_atoms_sel
CI #1366: Commit 2d633d5 pushed by jamesmkrieger
September 13, 2024 15:40 32m 34s spc_as_water
September 13, 2024 15:40 32m 34s
fix considered_atoms_sel
CI #1365: Commit 15b01b4 pushed by jamesmkrieger
September 13, 2024 15:38 39m 53s spc_as_water
September 13, 2024 15:38 39m 53s
add considered_atoms_sel to calcWaterBridges
CI #1364: Commit 053484e pushed by jamesmkrieger
September 13, 2024 15:33 31m 35s spc_as_water
September 13, 2024 15:33 31m 35s
September 13, 2024 15:11 31m 19s
add spc to water flag
CI #1362: Commit 3e954e6 pushed by jamesmkrieger
September 13, 2024 15:08 30m 30s spc_as_water
September 13, 2024 15:08 30m 30s
add more nonstandard to flags
CI #1361: Commit 43895d2 pushed by jamesmkrieger
September 12, 2024 14:11 32m 16s seqres_threeLetter
September 12, 2024 14:11 32m 16s
add docs
CI #1360: Commit 13850c3 pushed by jamesmkrieger
September 12, 2024 12:47 31m 12s seqres_threeLetter
September 12, 2024 12:47 31m 12s
add to allres block
CI #1359: Commit 0441b56 pushed by jamesmkrieger
September 10, 2024 08:46 30m 44s seqres_threeLetter
September 10, 2024 08:46 30m 44s
threeLetter seqres cif
CI #1358: Commit 6066666 pushed by jamesmkrieger
September 10, 2024 08:42 31m 0s seqres_threeLetter
September 10, 2024 08:42 31m 0s
add threeLetter to pdb header and atomic
CI #1357: Commit 48ee58f pushed by jamesmkrieger
September 10, 2024 08:20 32m 30s seqres_threeLetter
September 10, 2024 08:20 32m 30s
Merge branch 'main' of github.com:prody/ProDy into adp_matrix
CI #1356: Commit bb04290 pushed by jamesmkrieger
September 1, 2024 14:28 50m 56s adp_matrix
September 1, 2024 14:28 50m 56s
September 1, 2024 13:39 19m 28s
September 1, 2024 13:38 21m 15s
Merge pull request #1946 from karolamik13/interactions
CI #1353: Commit 17dab3e pushed by jamesmkrieger
September 1, 2024 13:35 32m 57s prody-master
September 1, 2024 13:35 32m 57s
same for adp axes
CI #1352: Commit 7b622d9 pushed by jamesmkrieger
September 1, 2024 13:33 29m 14s adp_matrix
September 1, 2024 13:33 29m 14s
Merge branch 'main' of github.com:prody/ProDy into hpb
CI #1351: Commit 176c122 pushed by jamesmkrieger
August 22, 2024 21:36 32m 44s v2.5rc1
August 22, 2024 21:36 32m 44s