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| Code Block |
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find /gpfs/sharedfs1/admin/hpc2.0/apps/schrodinger/2022-4/ -maxdepth 1 -executable -type f -printf "%f\n" | sort | pr -tT -8 | column -t autots desmond gfxinfo jsc material phase_hy qiksim ska biolumin elements glide jws mxmd phase_qs qpld ssp blast epik hppmap knime oned_scr phase_sc qsite sta bmin epikx ifd licadmin para_tes pipeline run structur confgen fep_abso ifd-md ligand_s pfam prime schrodin testapp confgenx fep_plus impact ligprep phase_bu prime_mm shape_sc vsw consensu fep_solu installa machid phase_da primex shape_sc watermap constant ffbuilde jaguar macromod phase_fi qikfit shape_sc wscore covalent generate jobcontr maestro phase_fq qikprop sitemap |
You can also see a list of utilities with the same find command above:
| Code Block |
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find /gpfs/sharedfs1/admin/hpc2.0/apps/schrodinger/2022-4/utilities/ -maxdepth 1 -executable -type f -printf "%f\n" | sort | pr -tT -8 | column -t
2d_sketc canvasHC ccp42cns create_x jnanny neutrali project_ store_re
abs canvasHC cg_chsr create_x jobcontr numfreqc project_ structal
align_bi canvasJo check_jo create_x jserver obabel propfilt structca
align_hy canvasKM check_th custom_p jserver_ para_bmi proplist structco
align_li canvasKP ch_isost desalter lictest para_epi protassi structsh
anharmon canvasLC ch_ligan elim.sch licutil para_lig py.test structur
apbs canvasLi ch_water epharmac ligand_i path_fin query_gp stu_add
applyhtr canvas_m cluster_ extract_ ligfilte pbs_lic_ queue_bm stu_dele
autoqsar canvasMC combinat feature_ ligparse pdbconve randsub stu_exec
AutoTSRe canvasMD combinat feature_ lp_filte phase_al refconve stu_extr
AutoTSRe canvasML combinat ffld_ser lp_label phase_cl render_k stu_modi
AutoTSRe canvasMo combinat flex_ali lp_nored phase_co r_group_ stu_work
babel canvasNn compare_ flexlm_s macro_pk phase_co r_group_ system_b
bandshap canvasPC configur fragment maegears phase_de ring_con tautomer
buildloo canvasPC conf_tem generate maesubse phase_hy ring_tem thermoch
canvas_a canvasPC convert_ generate maetopqr phase_hy rmsdcalc timestam
canvasBa canvasPC convert_ getpdb mae_to_s phase_hy rsync_pd uffmin
canvasCo canvasPh convert_ glide_en makejbas phase_mm sdconver unique_n
canvasCS canvasPL convert_ glide_me make_lin phase_pr sdsubset uniquesm
canvasCS canvasPr corefind glide_so make_r_l phase_qs secstruc update_B
canvasCS canvasPW create_h guardian md5diges phase_vo seqconve vis2gc
canvasDB canvasRP create_h hetgrp_f merge_du postmort serial_s visdump
canvasFP canvasSc create_h hit_expa micro_pk premin shape_sc watermap
canvasFP canvasSD create_h impref mol2conv prepwiza show_joi wscore_m
canvasFP canvasSe create_i ionizer moldescr profile_ smiles_t wscore_r
canvasFP canvasSO create_m ionizer_ mtzprint profile_ spectrum zip_temp
canvasFP canvasSO create_s jagconve multisim project_ stereoiz ziputil
canvasHC canvasTr create_w jaguar_p |
Example Application Usage
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